| Formula |
C18H23N7O2S |
| IUPAC Name |
n-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-6-yl)amino]pyridin-1-ium-5-id-2-yl]methanesulfonamide |
| Molecular Mass |
401.486 g·mol−1 |
| Heat of Formation |
50.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.35 ± 1.08 D |
| Volume |
456.39 Å 3 |
| Surface Area |
405.43 Å 2 |
| HOMO Energy |
-8.57 ± 0.55 eV |
| LUMO Energy |
-1.04 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
XJSMSQGEQXUYJL-UHFFFAOYSA-O |
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| DOI |
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| Elements |
H
C
S
O
N
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