Geometry & MOs

Info

ID:	88277
PubChem CID:	49902721
Reduced:	NSBr2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	498.89115
ΔH_f, kcal/mol:	-93.3
Dipole, Da:	5.74
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br)OC

DOS

IR

Vibrations