Geometry & MOs

Info

ID:	87316
PubChem CID:	49893946
Reduced:	SN3O3H23C31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	432.99834
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	9.76
IP(EA), eV:	-8.68(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5)/SC2=O

DOS

IR

Vibrations