Geometry & MOs

Info

ID:	440263
PubChem CID:	135230194
Reduced:	SN2O3C13H15 (2)
Stoich.:	AB2C3D13E15 (2)
Weight, g/mol:	353.105879
ΔH_f, kcal/mol:	-154.42
Dipole, Da:	2.65
IP(EA), eV:	-9.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)N(CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=CC=N4)C5CCCO5

DOS

IR

Vibrations