1-Ethyl-6-Fluoro-7-[4-[[(4R)-4-Methyl-5-Methylene-2-Oxo-1,3-Dioxolan-4-Yl]Oxy]Piperazin-1-Yl]-4-Oxo-Quinolin-1-Ium-3-Ide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C21H32FN3O7++ |
IUPAC Name | (1r,3r,4ar,6s,7s,8ar)-1-ethyl-6-fluoro-7-[4-[[(4r)-4-methyl-5-methylene-2-oxo-1,3-dioxolan-4-yl]oxy]piperazin-4-ium-1-yl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
Molecular Mass | 457.493 g·mol−1 |
Heat of Formation | -1019.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.22 ± 1.08 D |
Volume | 492.91 Å 3 |
Surface Area | 422.26 Å 2 |
HOMO Energy | -8.77 ± 0.55 eV |
LUMO Energy | 2.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | GLBHJZDLWQAMPA-KDFDSQHJSA-P |
QR Code | Generate QR Code |
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Elements | H C N O F |