Geometry & MOs

Info

ID:	88220
PubChem CID:	49902401
Reduced:	NSBr3O5H12C19 (1)
Stoich.:	ABC3D5E12F19 (1)
Weight, g/mol:	512.9068
ΔH_f, kcal/mol:	-124.59
Dipole, Da:	3.15
IP(EA), eV:	-9.8(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC(=O)O)Br)/SC2=O)Br

DOS

IR

Vibrations