Geometry & MOs

Info

ID:	440260
PubChem CID:	135230191
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	337.110965
ΔH_f, kcal/mol:	15.99
Dipole, Da:	3.06
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyridin-2-yl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SOCC2=CC=CC=N2

DOS

IR

Vibrations