7-[(1R,3S)-3-(Aminomethyl)-3-(Fluoromethyl)Pyrrolidin-1-Yl]-1-Cyclopropyl-6-Fluoro-8-Methoxy-4-Oxo-2,5-Dihydroquinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C20H32F2N3O4+ |
IUPAC Name | 7-[(1r,3s)-3-(aminomethyl)-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid |
Molecular Mass | 416.483 g·mol−1 |
Heat of Formation | -769.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.26 ± 1.08 D |
Volume | 458.41 Å 3 |
Surface Area | 371.88 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | 2.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | QMJHESGEVXVFSQ-FOHBNIQPSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |