Geometry & MOs

Info

ID:

144108

PubChem CID:

53312683

Reduced:

ClSO3N4C11H14 (1)

Stoich.:

ABC3D4E11F14 (1)

Weight, g/mol:

304.031136

ΔHf, kcal/mol:

3.89

Dipole, Da:

6.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750023

Charge, e:

 -1

Chem-info

IUPAC name:

2-benzylsulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole;chloride

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)OC.[Cl-]

DOS

IR

Vibrations