5-Amino-7-[(1R,3R)-3-Aminopyrrolidin-1-Yl]-1-Cyclopropyl-6,8-Difluoro-4-Oxo-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C17H27F2N4O3+ |
IUPAC Name | (1s,3r,4as,5s,6r,7r,8r,8as)-5-amino-7-[(1r,3r)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
Molecular Mass | 373.418 g·mol−1 |
Heat of Formation | -610.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.77 ± 1.08 D |
Volume | 390.26 Å 3 |
Surface Area | 339.95 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | 2.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | AJNAXLUUPUESOA-OMWIPKKQSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |