(4-Chlorocyclohexyl)Methyl 6-Fluoro-7-(4-Methylpiperazin-1-Yl)-1-[(4-Methylsulfonylcyclohexyl)Methyl]-4-Oxo-5,8-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylate
Properties
Property | Value |
---|---|
Formula | C30H50ClFN3O5S+ |
IUPAC Name | (4-chlorocyclohexyl)methyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[(4-methylsulfonylcyclohexyl)methyl]-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylate |
Molecular Mass | 619.252 g·mol−1 |
Heat of Formation | -675.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.31 ± 1.08 D |
Volume | 655.95 Å 3 |
Surface Area | 516.42 Å 2 |
HOMO Energy | -9.19 ± 0.55 eV |
LUMO Energy | -1.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZRJAQABLUAQFOI-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H F O N S |