1-Ethyl-6-Fluoro-7-[(1R)-4-Methyl-3-Oxo-Piperazin-1-Yl]-4-Oxo-5,8-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C17H27FN3O4+ |
IUPAC Name | (1r,3s,4as,6r,7s,8ar)-1-ethyl-6-fluoro-7-[(1r)-4-methyl-3-oxo-piperazin-1-yl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
Molecular Mass | 356.412 g·mol−1 |
Heat of Formation | -702.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.77 ± 1.08 D |
Volume | 386.33 Å 3 |
Surface Area | 339.3 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | 2.06 ± eV |
Point Group Symmetry | C1 |
InChIKey | NCSRCISAGVBXQH-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |