7-[(4As,6R,7As)-3,4,4A,5,7,7A-Hexahydro-2H-Pyrrolo[3,4-B][1,4]Oxazin-6-Yl]-8-Cyano-1-Cyclopropyl-6-Fluoro-4-Oxo-2,5-Dihydroquinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H28FN4O4+ |
| IUPAC Name | 7-[(4as,6r,7as)-3,4,4a,5,7,7a-hexahydro-2h-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid |
| Molecular Mass | 407.459 g·mol−1 |
| Heat of Formation | -361.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.73 ± 1.08 D |
| Volume | 439.54 Å 3 |
| Surface Area | 370.56 Å 2 |
| HOMO Energy | -9.41 ± 0.55 eV |
| LUMO Energy | 1.46 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZIXKNPXFAJGDGT-USKNVMQVSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |