Geometry & MOs

Info

ID:	440337
PubChem CID:	135230284
Reduced:	SN8H12C16 (1)
Stoich.:	AB8C12D16 (1)
Weight, g/mol:	353.105879
ΔH_f, kcal/mol:	213.0
Dipole, Da:	1.18
IP(EA), eV:	-9.27(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC(=CC=C4)C#N

DOS

IR

Vibrations