| Formula |
C21H20ClN5S |
| IUPAC Name |
n-benzyl-1-[(2r)-2-chloro-2-phenyl-ethyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-ium-2-id-4-amine |
| Molecular Mass |
409.935 g·mol−1 |
| Heat of Formation |
444.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.11 ± 1.08 D |
| Volume |
474.79 Å 3 |
| Surface Area |
409.7 Å 2 |
| HOMO Energy |
-8.45 ± 0.55 eV |
| LUMO Energy |
-0.42 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
VRYGLOHNGHJHFM-SFHVURJKSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
N
C
Cl
|
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