6-Fluoro-1-(4-Fluorocyclohexyl)-7-(4-Methylpiperazin-1-Yl)-4-Oxo-5,8-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C21H34F2N3O3+ |
IUPAC Name | (1s,3r,4as,6s,7r,8ar)-6-fluoro-1-(4-fluorocyclohexyl)-7-(4-methylpiperazin-1-yl)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
Molecular Mass | 414.510 g·mol−1 |
Heat of Formation | -570.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.53 ± 1.08 D |
Volume | 446.63 Å 3 |
Surface Area | 381.63 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | 1.90 ± eV |
Point Group Symmetry | C1 |
InChIKey | FJOIXXJLFSSPFP-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |