Geometry & MOs

Info

ID:	86631
PubChem CID:	49887829
Reduced:	BrClSN2O3H12C19 (1)
Stoich.:	ABCD2E3F12G19 (1)
Weight, g/mol:	610.91272
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	3.59
IP(EA), eV:	-9.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC#N)/SC2=O)Cl

DOS

IR

Vibrations