Geometry & MOs

Info

ID:

86865

PubChem CID:

49889826

Reduced:

NSO3Cl6H13C24 (1)

Stoich.:

ABC3D6E13F24 (1)

Weight, g/mol:

471.050749

ΔHf, kcal/mol:

-77.37

Dipole, Da:

2.36

IP(EA), eV:

 -9.54(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations