Geometry & MOs

Info

ID:

87864

PubChem CID:

49898081

Reduced:

NCl2S2O6H21C26 (1)

Stoich.:

AB2C2D6E21F26 (1)

Weight, g/mol:

584.093949

ΔHf, kcal/mol:

-177.35

Dipole, Da:

7.76

IP(EA), eV:

 -8.82(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations