5-[(1H-Benzimidazol-2-Ylmethyl)Sulfanyl]-2-Methyl[1,2,4]Triazolo[1,5-C]Quinazoline
Properties
Property | Value |
---|---|
Formula | C18H14N6S |
IUPAC Name | 5-(1h-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline |
Molecular Mass | 346.409 g·mol−1 |
Heat of Formation | 588.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.46 ± 1.08 D |
Volume | 385.54 Å 3 |
Surface Area | 346.98 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | 0.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | VVYNKZKNFFKZDW-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C N |