N-[[4-(3,5-Difluorocyclohexyl)Sulfonylcyclohexyl]Methyl]-1,2,3,5,6,8-Hexahydroindolizine-1,2,3,5,6,7,8,8A-Octaide-7-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C22H37F2N2O3S+ |
| IUPAC Name | (4r,7s,8as)-n-[[4-[(3s,5r)-3,5-difluorocyclohexyl]sulfonylcyclohexyl]methyl]-2,3,4,5,6,7,8,8a-octahydro-1h-indolizin-4-ium-7-carboxamide |
| Molecular Mass | 447.603 g·mol−1 |
| Heat of Formation | -447.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 0.40 ± 1.08 D |
| Volume | 463.35 Å 3 |
| Surface Area | 414.45 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | -1.52 ± eV |
| Point Group Symmetry | Cs |
| InChIKey | KWXVNQBRVFLZEJ-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |