Formula |
C20H27N9O3S |
IUPAC Name |
5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholino-3h-imidazo[1,2-a]pyrazin-4-ium-3-ylium-6-yl]pyrimidin-2-amine |
Molecular Mass |
473.552 g·mol−1 |
Heat of Formation |
-16.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.79 ± 1.08 D |
Volume |
530.71 Å 3 |
Surface Area |
456.87 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
2.04 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OHKDVDMWRKFZRB-UHFFFAOYSA-N |
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Elements |
H
S
C
O
N
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