Geometry & MOs

Info

ID:	440264
PubChem CID:	135230195
Reduced:	OSN7H15C16 (1)
Stoich.:	ABC7D15E16 (1)
Weight, g/mol:	383.116444
ΔH_f, kcal/mol:	133.93
Dipole, Da:	3.42
IP(EA), eV:	-9.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC=CC(=C4)OC

DOS

IR

Vibrations