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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S