7-[(1S,3R)-3-Aminoazepan-1-Yl]-8-Chloro-1-Cyclopropyl-6-Fluoro-4-Oxo-2,5-Dihydroquinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H30ClFN3O3+
IUPAC Name 7-[(1s,3r)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 402.911 g·mol−1
Heat of Formation -484.0 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 436.0 Å 3
Surface Area 362.27 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
InChIKey MHLZBIBOHLACQR-CPTLXILPSA-O
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Elements C F H Cl O N