3,7-Dihydropurine-1,9-Diium-5-Ide-2-Thione
Properties
Property | Value |
---|---|
Formula | C5H11N4S+ |
IUPAC Name | (4s,5s)-1,3,4,5,6,7,8,9-octahydropurin-3-ium-2-thione |
Molecular Mass | 159.233 g·mol−1 |
Heat of Formation | 349.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.43 ± 1.08 D |
Volume | 162.6 Å 3 |
Surface Area | 165.68 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | 1.46 ± eV |
Point Group Symmetry | Cs |
InChIKey | LMDGYPSNSUPTLZ-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H S C N |