Formula |
C24H31N5O3S |
IUPAC Name |
4-[[4-[4-(4-methylsulfonyl-1-piperidyl)-2h-indol-1-ium-2-ylium-1-yl]pyrimidin-2-yl]amino]cyclohexanol |
Molecular Mass |
469.600 g·mol−1 |
Heat of Formation |
-242.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.93 ± 1.08 D |
Volume |
552.9 Å 3 |
Surface Area |
472.19 Å 2 |
HOMO Energy |
-8.59 ± 0.55 eV |
LUMO Energy |
2.34 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VUQJMYORHRVTLM-IYARVYRRSA-N |
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Elements |
H
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