Geometry & MOs

Info

ID:	440265
PubChem CID:	135230196
Reduced:	SO2N7C17H17 (1)
Stoich.:	AB2C7D17E17 (1)
Weight, g/mol:	324.090564
ΔH_f, kcal/mol:	99.55
Dipole, Da:	7.93
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyltetrazol-5-yl)-2-(pyrimidin-4-ylmethylsulfanyl)benzimidazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC=CC(=C4OC)OC

DOS

IR

Vibrations