Formula |
C34H39N9O3 |
IUPAC Name |
n-[4-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-amino-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-2-methoxy-phenyl]-1-methyl-6h-indol-1-ium-6-ide-2-carboxamide |
Molecular Mass |
621.732 g·mol−1 |
Heat of Formation |
45.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.99 ± 1.08 D |
Volume |
734.0 Å 3 |
Surface Area |
620.94 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
2.41 ± eV |
Point Group Symmetry |
C1
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InChIKey |
VCUKZAVOTNSPPR-SOAUALDESA-O |
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Elements |
H
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