7-[(4As,6R,7As)-1,2,3,4,4A,5,7,7A-Octahydropyrrolo[3,4-B]Pyridin-6-Yl]-8-Chloro-1-Cyclopropyl-6-Fluoro-4-Oxo-2,5-Dihydroquinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C20H30ClFN3O3+ |
IUPAC Name | (1r,3r,4ar,6s,7s,8s,8ar)-7-[(4as,6r,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-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 | 414.922 g·mol−1 |
Heat of Formation | -447.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.15 ± 1.08 D |
Volume | 441.8 Å 3 |
Surface Area | 369.01 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | 1.89 ± eV |
Point Group Symmetry | C1 |
InChIKey | AKTYGOPULOLHCG-XZGNCITBSA-O |
QR Code | Generate QR Code |
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Elements | C F H Cl O N |