Geometry & MOs

Info

ID:	301638
PubChem CID:	123089739
Reduced:	FSN5H18C24 (1)
Stoich.:	ABC5D18E24 (1)
Weight, g/mol:	511.0192
ΔH_f, kcal/mol:	144.59
Dipole, Da:	5.4
IP(EA), eV:	-9.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-benzyl-4-[(Z)-(2,3,6-trichlorophenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(N2/N=C\C3=CC(=CC=C3)F)SCC4=CC=C(C=C4)C#N

DOS

IR

Vibrations