4-{5-[(E)-2-{4-(2-Chlorophenyl)-5-[5-(Methylsulfonyl)-2-Pyridinyl]-4H-1,2,4-Triazol-3-Yl}Vinyl]-1,3,4-Oxadiazol-2-Yl}Benzonitrile
Properties
Property | Value |
---|---|
Formula | C25H16ClN7O3S |
IUPAC Name | 4-[5-[(e)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridyl)-1,2,4-triazol-3-yl]vinyl]-1,3,4-oxadiazol-2-yl]benzonitrile |
Molecular Mass | 529.958 g·mol−1 |
Heat of Formation | 453.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.83 ± 1.08 D |
Volume | 563.2 Å 3 |
Surface Area | 489.26 Å 2 |
HOMO Energy | -9.55 ± 0.55 eV |
LUMO Energy | -2.18 ± eV |
Point Group Symmetry | C1 |
InChIKey | HIWVLHPKZNBSBE-OUKQBFOZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |