Geometry & MOs

Info

ID:	440300
PubChem CID:	135230247
Reduced:	ClSN5H12C17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	386.015973
ΔH_f, kcal/mol:	135.04
Dipole, Da:	1.77
IP(EA), eV:	-9.28(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichloropyridin-4-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2C3=NC=NC=C3Cl)SCC4=CC=CC=N4

DOS

IR

Vibrations