Geometry & MOs

Info

ID:

171156

PubChem CID:

75336684

Reduced:

IS2N3O10H16C24 (1)

Stoich.:

AB2C3D10E16F24 (1)

Weight, g/mol:

474.88476

ΔHf, kcal/mol:

-127.7

Dipole, Da:

8.29

IP(EA), eV:

 -9.38(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-])I)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations