Geometry & MOs

Info

ID:	440335
PubChem CID:	135230282
Reduced:	SF3N7H12C16 (1)
Stoich.:	AB3C7D12E16 (1)
Weight, g/mol:	337.110965
ΔH_f, kcal/mol:	17.06
Dipole, Da:	6.33
IP(EA), eV:	-9.25(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methylpyridin-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(F)(F)F

DOS

IR

Vibrations