1-Cyclopropyl-8-(Difluoromethoxy)-7-[(1R)-1-Methyl-1,2,3,4,6,7-Hexahydroisoindole-3A,4,5,6,7,7A-Hexaid-5-Yl]-4-Oxo-5,6-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H35F2N2O4+ |
| IUPAC Name | (1s,3s,4as,7r,8s,8as)-7-[(1r,3ar,5s,7as)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1h-isoindol-5-yl]-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
| Molecular Mass | 441.532 g·mol−1 |
| Heat of Formation | -756.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.86 ± 1.08 D |
| Volume | 468.73 Å 3 |
| Surface Area | 389.88 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -1.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LKWLPILQCMJIEM-DJXHJPSGSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |