Geometry & MOs

Info

ID:	87542
PubChem CID:	49895270
Reduced:	INSO6H20C22 (1)
Stoich.:	ABCD6E20F22 (1)
Weight, g/mol:	432.99834
ΔH_f, kcal/mol:	-163.54
Dipole, Da:	5.25
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC(=O)OC)OC)/SC2=O

DOS

IR

Vibrations