Geometry & MOs

Info

ID:	440261
PubChem CID:	135230192
Reduced:	SN7H15C16 (1)
Stoich.:	AB7C15D16 (1)
Weight, g/mol:	381.137179
ΔH_f, kcal/mol:	163.76
Dipole, Da:	7.91
IP(EA), eV:	-9.21(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)CSC2=NC3=CC=CC=C3N2C4=NN=NN4C

DOS

IR

Vibrations