Geometry & MOs

Info

ID:	435165
PubChem CID:	135182923
Reduced:	OSCl2N6H18C22 (1)
Stoich.:	ABC2D6E18F22 (1)
Weight, g/mol:	424.09517
ΔH_f, kcal/mol:	88.02
Dipole, Da:	2.76
IP(EA), eV:	-8.58(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(2Z)-2-[4-(2-chlorophenyl)-3-pyrimidin-4-yl-1H-1,2,4-triazol-5-ylidene]ethylidene]benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=S)/C(=C/CC2=C(C(=CC=C2)NC(=O)C3=NC=NC=C3)Cl)/N=CN)Cl

DOS

IR

Vibrations