1-(2,4-Difluorocyclohexyl)-6-Fluoro-7-[(1R,3R)-3-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 | C21H33F3N3O3+ |
IUPAC Name | 1-(2,4-difluorocyclohexyl)-6-fluoro-7-[(1r,3r)-3-methylpiperazin-1-yl]-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 | -785.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.63 ± 1.08 D |
Volume | 453.93 Å 3 |
Surface Area | 384.39 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | 1.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | UGKATIIPLBDMIM-RTLUHVHCSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |