7-(2-Aminoethylsulfanyl)-1-Cyclopropyl-6-Fluoro-4-Oxo-Quinolin-1-Ium-3-Ide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C15H24FN2O3S+ |
IUPAC Name | (1r,3s,4as,6r,7s,8ar)-7-(2-aminoethylsulfanyl)-1-cyclopropyl-6-fluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
Molecular Mass | 331.426 g·mol−1 |
Heat of Formation | -450.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.46 ± 1.08 D |
Volume | 356.4 Å 3 |
Surface Area | 307.65 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | 1.99 ± eV |
Point Group Symmetry | C1 |
InChIKey | KZSPRCLYFFEFGS-UHFFFAOYSA-O |
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Elements | C F H O N S |