N-Benzyl-1-[(2R)-2-Chloro-2-Phenyl-Ethyl]-6-Methylsulfanyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine
Properties
| Property | Value |
|---|---|
| Formula | C21H20ClN5S |
| IUPAC Name | n-benzyl-1-[(2r)-2-chloro-2-phenyl-ethyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine |
| Molecular Mass | 409.935 g·mol−1 |
| Heat of Formation | 439.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.21 ± 1.08 D |
| Volume | 482.27 Å 3 |
| Surface Area | 389.18 Å 2 |
| HOMO Energy | -8.47 ± 0.55 eV |
| LUMO Energy | 1.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UOONFMCNFCBWPK-SFHVURJKSA-O |
| QR Code | Generate QR Code |
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| Elements | H S N C Cl |