Geometry & MOs

Info

ID:	140750
PubChem CID:	52752415
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	467.141596
ΔH_f, kcal/mol:	9.95
Dipole, Da:	3.53
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(3H-benzimidazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CN3)C(=O)C4=CC=CC=C4CCC5=CC=CC=C5

DOS

IR

Vibrations