N-{(1R,2S,6R,7R,8R)-4-[4-Cyano-3-(Trifluoromethyl)Phenyl]-1,7-Dimethyl-3,5-Dioxo-10-Oxa-4-Azatricyclo[5.2.1.0~2,6~]Dec-8-Yl}Ethanesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C20H20F3N3O5S |
| IUPAC Name | n-[(3ar,4r,5r,7r,7as)-2-[4-cyano-3-(trifluoromethyl)phenyl]-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-5-yl]ethanesulfonamide |
| Molecular Mass | 471.450 g·mol−1 |
| Heat of Formation | -1310.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.63 ± 1.08 D |
| Volume | 499.42 Å 3 |
| Surface Area | 412.16 Å 2 |
| HOMO Energy | -9.88 ± 0.55 eV |
| LUMO Energy | -1.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HYNANJUKEMCYEQ-HIGHGGLBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |