Formula |
C32H23F2N5O2 |
IUPAC Name |
n-[(1r)-1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-(4h-imidazol-3-ium-4-ylium-3-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide |
Molecular Mass |
547.554 g·mol−1 |
Heat of Formation |
59.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.68 ± 1.08 D |
Volume |
628.43 Å 3 |
Surface Area |
540.83 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
1.56 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YTJXXDVLDUKYHV-LJAQVGFWSA-N |
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Links |
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Elements |
H
C
N
O
F
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