5-Amino-7-[(1R,3R,4S)-3-(1-Aminocyclopropyl)-4-Fluoro-Pyrrolidin-1-Yl]-6-Fluoro-1-[(1R,2S)-2-Fluorocyclopropyl]-8-Methyl-4-Oxo-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H32F3N4O3+ |
| IUPAC Name | (1s,3r,4ar,5r,6s,7s,8s,8as)-5-amino-7-[(1r,3r,4s)-3-(1-aminocyclopropyl)-4-fluoro-pyrrolidin-1-yl]-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-8-methyl-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
| Molecular Mass | 445.499 g·mol−1 |
| Heat of Formation | -723.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.58 ± 1.08 D |
| Volume | 482.54 Å 3 |
| Surface Area | 386.14 Å 2 |
| HOMO Energy | -8.30 ± 0.55 eV |
| LUMO Energy | 2.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JTSPRHFWOWCVQW-HEZKSIIWSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |