Formula |
C34H33Cl2FN6O3 |
IUPAC Name |
n-[[2-chloro-5-[1-[3-[4-(6-chloro-3-methyl-2-oxo-7h-benzimidazole-1,3-diium-6,7-diid-1-yl)-1-piperidyl]propyl]-6-oxo-pyrimidin-5-yl]phenyl]methyl]-4-fluoro-benzamide |
Molecular Mass |
663.569 g·mol−1 |
Heat of Formation |
-377.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.49 ± 1.08 D |
Volume |
754.48 Å 3 |
Surface Area |
630.99 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UUSUCXDJVSXCBL-UHFFFAOYSA-N |
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Elements |
C
Cl
H
F
O
N
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