Geometry & MOs

Info

ID:	87246
PubChem CID:	49893431
Reduced:	NSCl2O3H17C24 (1)
Stoich.:	ABC2D3E17F24 (1)
Weight, g/mol:	487.021198
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	5.41
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations