Formula |
C35H37N7O2 |
IUPAC Name |
4-tert-butyl-n-[3-[8-[4-(4-methylpiperazine-1-carbonyl)anilino]-5h-imidazo[1,2-a]pyrazin-4-ium-5-ylium-6-yl]phenyl]benzamide |
Molecular Mass |
587.714 g·mol−1 |
Heat of Formation |
151.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.17 ± 1.08 D |
Volume |
721.41 Å 3 |
Surface Area |
534.79 Å 2 |
HOMO Energy |
-8.40 ± 0.55 eV |
LUMO Energy |
-1.29 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SRCYAPDLHPUGBX-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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