Conformational isomers or conformers are unique stable conformations of a single molecule. Based on the number of rotatable bonds, molecules can take on numerous configurations that can have a significant effect on the properties of the molecule. Conformers for a molecule can be easily obtained in Envision, in this video we show you how to do these calculations by highlighting two examples: (1) Is the classic example of the gauche and anti conformers of ethanol, (2) Are the conformers of a drug molecule called chlorprothixene.
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About Envision
Entos Envision is now available and free for academic use. Envision is a cloud-based platform that utilizes quantum mechanics and machine learning to provide fast and accurate predictions of molecular properties in real-time. Many properties can be calculated in Envision using a simple click of a button, including molecular orbitals, infrared spectroscopy, molecular dynamics, bond orders, conformer searches, and more!
Envision is built from the ground up to be an intuitive user experience that can aid your research and teaching in chemistry. In this video we introduce the software and show off the many features available.
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Timecodes
0:00 - Introduction
1:04 - Conformers of Ethanol
2:42 - Gauche Effect in Ethanol
4:36 - Property Calculations on a Single Conformer
5:28 - Exporting Conformers and Public Link
7:13 - Conformers of Chlorprothixene
