Geometry & MOs

Info

ID:	440448
PubChem CID:	135230425
Reduced:	ClSN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	348.090564
ΔH_f, kcal/mol:	166.2
Dipole, Da:	6.36
IP(EA), eV:	-9.25(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations