Methyl 1-Cyclohexyl-7-Fluoro-3-[[4-(2-Hydroxyethylsulfonyl)Cyclohexyl]Methyl]-4-Oxo-6,8-Dihydro-5H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-2-Carboxylate
Properties
Property | Value |
---|---|
Formula | C26H43FNO6S+ |
IUPAC Name | methyl 1-cyclohexyl-7-fluoro-3-[[4-(2-hydroxyethylsulfonyl)cyclohexyl]methyl]-4-oxo-6,8-dihydro-5h-quinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylate |
Molecular Mass | 516.686 g·mol−1 |
Heat of Formation | -848.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.74 ± 1.08 D |
Volume | 549.55 Å 3 |
Surface Area | 454.57 Å 2 |
HOMO Energy | -9.06 ± 0.55 eV |
LUMO Energy | -1.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | RJSLTZYALPVIMU-UHFFFAOYSA-O |
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Elements | C F H O N S |