7-[(1S,2S,4S)-4-Amino-2-Methyl-Pyrrolidin-1-Yl]-1-(2,4-Difluorocyclohexyl)-6-Fluoro-4-Oxo-5,8-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C21H33F3N3O3+ |
IUPAC Name | 7-[(1s,2s,4s)-4-amino-2-methyl-pyrrolidin-1-yl]-1-(2,4-difluorocyclohexyl)-6-fluoro-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid |
Molecular Mass | 432.500 g·mol−1 |
Heat of Formation | -813.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.61 ± 1.08 D |
Volume | 456.91 Å 3 |
Surface Area | 378.61 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | 1.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | NXUXPBVHDHIXNB-NFNGIYOCSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |