Geometry & MOs

Info

ID:

86861

PubChem CID:

49889814

Reduced:

FN2S2O8H17C24 (1)

Stoich.:

AB2C2D8E17F24 (1)

Weight, g/mol:

501.061313

ΔHf, kcal/mol:

-186.72

Dipole, Da:

7.48

IP(EA), eV:

 -9.01(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]-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=CC=C(C=C3)F)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations