Geometry & MOs

Info

ID:	440336
PubChem CID:	135230283
Reduced:	SN7H15C16 (1)
Stoich.:	AB7C15D16 (1)
Weight, g/mol:	348.090564
ΔH_f, kcal/mol:	166.82
Dipole, Da:	6.4
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CSC2=NC3=CC=CC=C3N2C4=NN=NN4C

DOS

IR

Vibrations