| Formula |
C23H39N6O4S+ |
| IUPAC Name |
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidin-6-ium-7-one |
| Molecular Mass |
495.659 g·mol−1 |
| Heat of Formation |
-350.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
10.63 ± 1.08 D |
| Volume |
570.73 Å 3 |
| Surface Area |
478.01 Å 2 |
| HOMO Energy |
-8.77 ± 0.55 eV |
| LUMO Energy |
-1.30 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
PHBLHUXKVDZUDG-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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