Geometry & MOs

Info

ID:

87184

PubChem CID:

49892945

Reduced:

NSCl2O4H21C29 (1)

Stoich.:

ABC2D4E21F29 (1)

Weight, g/mol:

527.072485

ΔHf, kcal/mol:

-66.4

Dipole, Da:

3.84

IP(EA), eV:

 -8.75(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]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=C(C=C(C=C3)Cl)Cl)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations