1-Cyclopropyl-7-[(1S,3S)-3-(Ethylaminomethyl)Pyrrolidin-1-Yl]-6,8-Difluoro-4-Oxo-2,5-Dihydroquinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C20H32F2N3O3+ |
IUPAC Name | 1-cyclopropyl-7-[(1s,3s)-3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid |
Molecular Mass | 400.483 g·mol−1 |
Heat of Formation | -626.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.55 ± 1.08 D |
Volume | 444.88 Å 3 |
Surface Area | 392.73 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | 2.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZGVAJNQTELZKTJ-LMBSOWTOSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |