Geometry & MOs

Info

ID:

86622

PubChem CID:

49887708

Reduced:

ClN2S2O7H15C23 (1)

Stoich.:

AB2C2D7E15F23 (1)

Weight, g/mol:

560.98125

ΔHf, kcal/mol:

-116.5

Dipole, Da:

4.36

IP(EA), eV:

 -9.6(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])/SC2=O)Cl

DOS

IR

Vibrations