# iSpartan

> Mobile molecular modeling and computational chemistry for chemists. (iPhone/iPad app by Wavefunction, Inc.)

- Source: https://appshunter.io/ios/app/ispartan/id534726646 (this page in markdown: same URL + `.md`)
- Developer: [Wavefunction, Inc](https://appshunter.io/developer/534726809)
- Category: Productivity, Education
- Price: $19.99
- Rating: 3.30/5 from 12 App Store ratings · 14 written reviews indexed
- Age rating: 4+
- Requires: iOS 8.0 · 186 MB
- Languages: American English
- Released: 2012-07-14
- Data updated: 2026-08-24
- Monetization: paid
- User reviews in markdown: https://appshunter.io/ios/app/ispartan/id534726646/reviews.md

## What is iSpartan?

iSpartan is a versatile app for molecular modeling on the iPad, iPhone, and iPod Touch. The app allows any chemist fast and easy access to computational methods that have proven reliable for a large range of molecules.

Molecules are created by two-dimensional sketching, analogous to drawing a structure on paper. The app converts the two-dimensional sketch into a three-dimensional structure. Low-energy conformations can then be calculated and their geometries be queried. A database of 5,000 molecules (a subset of the Spartan Spectra and Properties Database, SSPD) can furthermore be accessed to obtain NMR and IR spectra, molecular orbitals, electrostatic potential maps, and other atomic and molecular properties. The database can be searched for substructures.

Conformational analysis:
• Identify the most favorable conformer
• Assess alternative energy conformers
• Present the results in a clear energy diagram
iSpartan uses the proven MMFF force field and performs conformational searching in real time.

Properties available for any molecule:
• R / S chirality
• Molecular weight
• Total surface area and polar surface area
• Molecular volume
• Log P
• Vicinal coupling constants
• Distances, angles, and torsion angles

Spectra and other properties calculated using quantum mechanics are available for the 5,000 molecules in the database that is included with iSpartan. For common organic molecules, quantum chemistry calculations can be carried out if the Spartan Parallel Suite program is installed (separate product; available for Windows or Macintosh). Spartan Parallel Suite also provides access to the full SSPD (> 250,000 molecules) via the iPad, iPhone, or iPod Touch.

NMR spectroscopy:
• Assign peaks in proton and carbon spectra
• Confirm or reject structure predictions
• Suggest which structure is most consistent with the data
• Explore and suggest alternative structures
iSpartan combines the results of density functional calculations (EDF2/6-31G* model) with an empirical correction to obtain highly accurate spectra. Unlike purely empirical schemes, iSpartan always fully accounts for both 3D structure (stereochemistry) and conformation.

Thermochemistry:
• Identify the best tautomer or isomer
• Assess product distributions at equilibrium
• Classify reactions as endothermic or exothermic
iSpartan obtains the total energy from DFT calculations. The heat of formation of most organic molecules can also be estimated using the highly accurate T1 thermochemical recipe.

Infrared spectroscopy:
• Assign absorption bands to functional groups
• Confirm or reject structure predictions
• Animate molecular vibrations associated with the absorption bands
The shown spectrum is based on DFT calculations and includes a scaling factor for the frequencies. Temperature effects are accounted for by broadening of the absorption bands. The result is an accurate and realistic spectrum similar to experimental data.

Molecular orbitals and electrostatic potential maps:
• Analyze frontier orbitals in order to predict reactivity
• Use electrostatic potential maps to assess selectivity, reactivity, and acid strength and to distinguish between polar (hydrophilic) and nonpolar (hydrophobic) regions

Other calculated properties:
• Partial charges of atoms
• Dipole moments

Greater productivity in chemical research through molecular modeling...this is iSpartan.

## Key features

- 2D sketching to 3D structure conversion
- Conformational analysis
- Access to 5,000 molecule database
- NMR and IR spectra calculation
- Molecular orbital visualization
- Thermochemistry calculations

## Chart rankings

- #198 in Top Paid · Productivity (US App Store)

## Recent user reviews (10 of 14)

All indexed reviews: https://appshunter.io/ios/app/ispartan/id534726646/reviews.md

### 5/5 — Efficient

*2022-10-24*

Awesome product thank you

### 4/5 — Great app for teaching

*2019-03-23*

I use this app in the classroom to show conformational energies, orbitals, charge distribution, IR and NMR etc
Students love it.

App works by drawing a structure and if it's on the company server it downloads all available data.

Current iPads, A10 chips and later, can easily perform most quantum chemistry calculations at the semiempirical, HF and DFT levels, it would be great if the developer included the possibility of performing actual calculations on the iPad using a ARM compiled version of QChem and the GUI of this app.

Please bring a version of the real SPARTAN to the iPad !!!!!

### 3/5 — Really Cool, But Incomplete

*2019-01-17*

This app is amazing, however in order to access the extended database you must purchase the parallel suite for your computer and submit your sketch remotely. The parallel suite is costly, and it is difficult to find a way to buy an individual student use version on the website.

### 5/5 — Organic Chemistry Student

*2018-12-02*

Well, this is my new favorite app, EVER. I use spartan at the university, but I didn’t expect the app to be as good as it is. It gives spectra for molecules and even demonstrates what the stretch/bend looks like on the molecule if you hover over an absorption/peak value. What?? Crazy! Easy to use, definitely worth money!! (I’ve been sitting here sketching/evaluating molecules with this app for the last 5hrs), this is awesome! Would absolutely recommend it.

### 1/5 — Frustrating to use

*2018-04-19*

I had to obtain this for a class and do not think my professor knew how much of a pain the app is. Some of the issues I have had are: to add a ring you have to tap multiple times (certain my phone is not the issue), you are only allowed to go back once, multiple taps needed to delete anything (there is tremendous room for improvement when it comes to precision), also it is unclear if the lone e- symbol represents an e- pair or is a single e-, and there are no instructional videos for the app on YouTube or spartans website. I think once these issues are fixed it will be an awesome app but for now it is very frustrating to use and time consuming. To professors it would be better to require students to obtain the pc version because the app is not well developed and lacks instructional resources.

### 1/5 — Disappointed

*2016-04-13*

Paid for the app but difficult to work with. Wish I had not paid for it. I prefer the orange NMR for free for what I needed to do.  Would not recommend.

### 5/5 — Awesome Deal

*2016-03-18*

iSpartan gives you a ton of features for a pretty cheap price. I use this app to show functional groups in 3D in my undergraduate organic lectures. The computed IR spectra, while they don't resemble what you would observe from an instrument, assign the various stretching modes to each bond type. This really is cool for demonstrating to a class why IR is useful. The NMR predictions are nice as well for showing why hydrogens and carbons have different chemical shifts. I recommend this app to anyone learning or teaching organic chemistry.

### 5/5 — Powerful App @ your fingertips!

*2016-02-11*

I could write a whole page if I wanted praising this software as it's by far one of the best apps I've ever used. But limited by time & space, all I'll say is if you're serious about chemistry, everything I own by Wavefunction is of the highest quality and a MUST HAVE! Every penny they ask for is worth it as these folks have gone above & beyond your wildest expectations. Ease of use & incredible accuracy can't be duplicated anywhere for what these folks ask for. As a 2nd year Organic Chemistry major, this software has taught me almost more than my instructors, & has definitely reinforced my learning. Most folks are visual & trust me, this is eye-candy! Highly recommend, you won't be disappointed. Reading some of the negative comments are completely wrong & lead me to believe they don't have this software or have ever used it. You will be impressed!!

### 5/5 — One cool app

*2015-01-08*

Nice app that actually works. Nice to show IR bands and show conformer analysis.

### 5/5 — Best Molecular Modeling App

*2014-05-19*

It’s superb for structure building and display. There are some other cool features too.  I highly recommend this app.

## Frequently asked questions about iSpartan

### What is iSpartan?

iSpartan is a mobile application designed for molecular modeling and computational chemistry. It allows users to create and analyze molecular structures, calculate properties, and access a database of chemical information directly on their iPhone or iPad.

### How much does iSpartan cost?

iSpartan is a paid application, priced at $19.99. This one-time purchase grants access to all its features and the included molecule database.

### What devices does iSpartan support?

iSpartan is compatible with iPhone, iPad, and iPod Touch devices. It is designed to leverage the capabilities of these Apple mobile platforms.

### Does iSpartan have ads?

No, iSpartan does not contain advertisements. As a paid application, it offers an ad-free experience for its users.

### How often is iSpartan updated?

The latest version of iSpartan is 1.4.10, last updated on February 11, 2021. While updates may not be frequent, the app provides a stable set of features for molecular modeling.

### What kind of chemistry calculations can iSpartan perform?

iSpartan can perform various calculations including conformational analysis, thermochemistry, NMR and IR spectroscopy, and visualization of molecular orbitals and electrostatic potential maps. It utilizes methods like MMFF force field and DFT calculations.

### Can I create custom molecules in iSpartan?

Yes, you can create custom molecules in iSpartan by using a two-dimensional sketching interface, similar to drawing on paper. The app then converts this sketch into a three-dimensional structure for further analysis.

### What is the age rating for iSpartan?

iSpartan has an age rating of 4+. This indicates it is suitable for users of all ages, with no content restrictions.

## Version history (last 5 releases)

### 1.4.10 — 2021-02-11

Fixed iOS 14 bug discovered in version 1.4.9

### 1.4.9 — 2021-02-09

Fixed issue where iSpartan would not appear in the Open In (app).. list for Mail enclosures in iOS 14 and later.

### 1.4.8 — 2020-10-27

Compatibility fixes for iOS 14

### 1.4.7 — 2017-01-06

Support for viewing NMR data from Spartan'16

### 1.4.6 — 2016-02-09

Improved stability for iOS9 for Spartan'14 Parallel Suite (Serve)r users
Enhanced charge labels in Sketch mode
Increased electrostatic potential surfaces integrity

## Apps similar to iSpartan

| App | Rating | Price | Category |
| --- | --- | --- | --- |
| [Handwriting Scan - WriteScan](https://appshunter.io/ios/app/handwriting-scan-writescan/id6751835580) | 5.0 (1) | Free | Productivity |
| [NACWA Events](https://appshunter.io/ios/app/nacwa-events/id895122332) | 5.0 (2) | Free | Productivity |
| [Wako TLC Viewer](https://appshunter.io/ios/app/wako-tlc-viewer/id1666473881) | — | Free | Productivity |
| [BHCC NYNJ Community](https://appshunter.io/ios/app/bhcc-nynj-community/id6737746988) | — | Free | Productivity |
| [Focusaur: Pomodoro & Habits](https://appshunter.io/ios/app/focusaur-pomodoro-and-habits/id6612023087) | 4.0 (5) | Free | Productivity |
| [ChemGraphic - Chemical Editor](https://appshunter.io/ios/app/chemgraphic-chemical-editor/id1451571017) | 3.0 (2) | Free | Productivity |

## More apps by Wavefunction, Inc

- [ODYSSEY Atomic Orbitals](https://appshunter.io/ios/app/odyssey-atomic-orbitals/id830980902)
- [ODYSSEY Electron Sharing](https://appshunter.io/ios/app/odyssey-electron-sharing/id849135421)
- [ODYSSEY Resonance](https://appshunter.io/ios/app/odyssey-resonance/id849142769)
- [ODYSSEY VSEPR Theory](https://appshunter.io/ios/app/odyssey-vsepr-theory/id869643629)
- [ODYSSEY Polar Bonds- Molecules](https://appshunter.io/ios/app/odyssey-polar-bonds-molecules/id869677755)

All apps by Wavefunction, Inc: https://appshunter.io/developer/534726809

## Related topics

[ispartan](https://appshunter.io/ios/topics/ispartan) · [ispartans](https://appshunter.io/ios/topics/ispartans)

---

*Data collected daily from the US App Store and indexed by [AppsHunter](https://appshunter.io/). User reviews are verbatim App Store reviews. Ratings, prices and chart positions refresh continuously; this snapshot is from 2026-08-24.*