Geometry & MOs

Info

ID:

87189

PubChem CID:

49892965

Reduced:

NSCl3O3H18C28 (1)

Stoich.:

ABC3D3E18F28 (1)

Weight, g/mol:

532.006276

ΔHf, kcal/mol:

-42.92

Dipole, Da:

6.95

IP(EA), eV:

 -8.83(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)OCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations