Geometry & MOs

Info

ID:

60419

PubChem CID:

26685394

Reduced:

N2O2S2C17H23 (1)

Stoich.:

A2B2C2D17E23 (1)

Weight, g/mol:

431.941603

ΔHf, kcal/mol:

-36.05

Dipole, Da:

5.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.256882

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](COC)NC(=O)C[NH+]1CCC2=C([C@@H]1C3=CC=CS3)C=CS2

DOS

IR

Vibrations