Geometry & MOs

Info

ID:

87060

PubChem CID:

49891453

Reduced:

ClFNS2O6H17C24 (1)

Stoich.:

ABCD2E6F17G24 (1)

Weight, g/mol:

481.066319

ΔHf, kcal/mol:

-189.88

Dipole, Da:

6.54

IP(EA), eV:

 -9.13(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[(3E)-3-[(3-chloro-4-methylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-3-[(2-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=CC=C3F)Cl)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations