Geometry & MOs

Info

ID:

87306

PubChem CID:

49893927

Reduced:

IN2S2O7H21C26 (1)

Stoich.:

AB2C2D7E21F26 (1)

Weight, g/mol:

497.086385

ΔHf, kcal/mol:

-167.02

Dipole, Da:

5.97

IP(EA), eV:

 -8.92(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)I)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations