| Formula |
C22H37N6O3S2+ |
| IUPAC Name |
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-1,6-diium-2-ide-7-thione |
| Molecular Mass |
497.698 g·mol−1 |
| Heat of Formation |
-97.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
10.15 ± 1.08 D |
| Volume |
571.29 Å 3 |
| Surface Area |
468.96 Å 2 |
| HOMO Energy |
-8.15 ± 0.55 eV |
| LUMO Energy |
-1.68 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
RAKKSXXPELLXAZ-UHFFFAOYSA-O |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
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