Geometry & MOs

Info

ID:

191824

PubChem CID:

78191142

Reduced:

S8C20H36O37 (2)

Stoich.:

A8B20C36D37 (2)

Weight, g/mol:

354.140199

ΔHf, kcal/mol:

-3079.53

Dipole, Da:

3.65

IP(EA), eV:

 -11.0(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-oxo-N-(1-phenylethyl)-4-(2-phenylethylsulfanyl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1C(C(C(C(O1)COS(=O)(=O)O)OS(=O)(=O)O)OC2C(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(C(O4)COS(=O)(=O)O)OS(=O)(=O)O)OC5C(C(C(C(O5)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

DOS

IR

Vibrations