Geometry & MOs

Info

ID:

87178

PubChem CID:

49892912

Reduced:

SCl2N3O4H17C26 (1)

Stoich.:

AB2C3D4E17F26 (1)

Weight, g/mol:

720.82391

ΔHf, kcal/mol:

2.2

Dipole, Da:

8.42

IP(EA), eV:

 -8.91(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations