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

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Properties Simple | Detailed

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
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