Formula |
C31H26F5N5O2 |
IUPAC Name |
3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-(4-methylpiperazin-1-yl)quinolin-4-one |
Molecular Mass |
595.562 g·mol−1 |
Heat of Formation |
-687.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.30 ± 1.08 D |
Volume |
659.1 Å 3 |
Surface Area |
532.19 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
1.54 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BZDUJTPAUCQOHN-UHFFFAOYSA-N |
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Elements |
H
C
N
O
F
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