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

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Properties Simple | Detailed

Formula C25H16ClN7O3S
IUPAC Name 4-[5-[(e)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonylpyridin-2-yl)-1,2,4-triazol-3-yl]ethenyl]-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
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