Geometry & MOs

Info

ID:	86604
PubChem CID:	49887555
Reduced:	NSCl3O3H16C24 (1)
Stoich.:	ABC3D3E16F24 (1)
Weight, g/mol:	557.00632
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	4.27
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC(=C(C=C4)Cl)Cl)/SC2=O)Cl

DOS

IR

Vibrations