Geometry & MOs

Info

ID:	141989
PubChem CID:	52962798
Reduced:	O4N6C26H31 (1)
Stoich.:	A4B6C26D31 (1)
Weight, g/mol:	214.033147
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	4.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.807200
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-1H-benzimidazol-1-ium;chloride

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)N(C(=[N+]3CCN(CC3)CC4=CC=CC=C4)N2)CC(COC5=CC=CC=C5)O

DOS

IR

Vibrations