Geometry & MOs

Info

ID:	87580
PubChem CID:	49895620
Reduced:	NSBr2O5H15C20 (1)
Stoich.:	ABC2D5E15F20 (1)
Weight, g/mol:	604.983
ΔH_f, kcal/mol:	-137.24
Dipole, Da:	5.01
IP(EA), eV:	-9.46(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC(=O)O)Br)/SC2=O

DOS

IR

Vibrations