2,6-Diamino-8-[(1H-Imidazol-2-Ylsulfanyl)Methyl]-4(1H)-Quinazolinone
Properties
Property | Value |
---|---|
Formula | C12H12N6OS |
IUPAC Name | 2,6-diamino-8-(1h-imidazol-2-ylsulfanylmethyl)-1h-quinazolin-4-one |
Molecular Mass | 288.328 g·mol−1 |
Heat of Formation | 134.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.44 ± 1.08 D |
Volume | 316.66 Å 3 |
Surface Area | 295.68 Å 2 |
HOMO Energy | -8.21 ± 0.55 eV |
LUMO Energy | -1.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | CEWKWXPCQGWWBM-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C S O N |