Geometry & MOs

Info

ID:	20334
PubChem CID:	583185
Reduced:	SN5H9C10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	231.057866
ΔH_f, kcal/mol:	100.29
Dipole, Da:	1.71
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CSC3=NC=NN3

DOS

IR

Vibrations