Formula |
C25H17ClFN3O3 |
IUPAC Name |
1-[(2-chloro-3-quinolyl)methyl]-6-fluoro-5-methyl-3-(2-oxopyridin-1-ium-3-id-3-yl)indol-1-ium-5-ide-2-carboxylic acid |
Molecular Mass |
461.872 g·mol−1 |
Heat of Formation |
-320.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.85 ± 1.08 D |
Volume |
495.4 Å 3 |
Surface Area |
415.6 Å 2 |
HOMO Energy |
-8.48 ± 0.55 eV |
LUMO Energy |
1.80 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UZVPIJMLVISXHS-UHFFFAOYSA-N |
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Elements |
C
F
H
Cl
O
N
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