Geometry & MOs

Info

ID:

86959

PubChem CID:

49890248

Reduced:

FISN2O6H20C26 (1)

Stoich.:

ABCD2E6F20G26 (1)

Weight, g/mol:

467.100286

ΔHf, kcal/mol:

-109.32

Dipole, Da:

5.43

IP(EA), eV:

 -9.17(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-[(4-fluorophenyl)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)CC3=CC=C(C=C3)F)I)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations