Geometry & MOs

Info

ID:	440449
PubChem CID:	135230426
Reduced:	SN8H12C16 (1)
Stoich.:	AB8C12D16 (1)
Weight, g/mol:	357.056342
ΔH_f, kcal/mol:	210.39
Dipole, Da:	4.2
IP(EA), eV:	-9.3(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloropyridin-2-yl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations