7-[(1S,3R)-3-Aminopyrrolidin-1-Yl]-8-Chloro-1-Cyclopropyl-6-Fluoro-4-Oxo-Quinolin-1-Ium-3-Ide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C17H26ClFN3O3+ |
IUPAC Name | (1r,3r,4ar,6s,7s,8s,8ar)-7-[(1s,3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
Molecular Mass | 374.858 g·mol−1 |
Heat of Formation | -451.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.13 ± 1.08 D |
Volume | 395.37 Å 3 |
Surface Area | 335.63 Å 2 |
HOMO Energy | -9.18 ± 0.55 eV |
LUMO Energy | -1.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | LTOVVSQBJPTNJT-MJJGBKSNSA-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 |