5-Amino-1-Cyclopropyl-7-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]-6,8-Difluoro-4-Oxo-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C19H31F2N4O3+ |
IUPAC Name | 5-amino-1-cyclopropyl-7-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid |
Molecular Mass | 401.471 g·mol−1 |
Heat of Formation | -654.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.61 ± 1.08 D |
Volume | 436.72 Å 3 |
Surface Area | 369.7 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | 2.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | WCAGOAAMDSDZLM-JHSJVTLWSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |