Geometry & MOs

Info

ID:	88296
PubChem CID:	49902805
Reduced:	BrINSO4H19C21 (1)
Stoich.:	ABCDE4F19G21 (1)
Weight, g/mol:	452.94372
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	4.34
IP(EA), eV:	-8.86(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-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)I)OCC

DOS

IR

Vibrations