Geometry & MOs

Info

ID:

88123

PubChem CID:

49901715

Reduced:

N2S2O7H24C30 (1)

Stoich.:

A2B2C7D24E30 (1)

Weight, g/mol:

547.017862

ΔHf, kcal/mol:

-179.6

Dipole, Da:

7.45

IP(EA), eV:

 -8.86(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations