Geometry & MOs

Info

ID:

88017

PubChem CID:

49899895

Reduced:

ClNS2O6H20C28 (1)

Stoich.:

ABC2D6E20F28 (1)

Weight, g/mol:

624.93783

ΔHf, kcal/mol:

-135.15

Dipole, Da:

4.66

IP(EA), eV:

 -8.89(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations