Geometry & MOs

Info

ID:	87775
PubChem CID:	49897241
Reduced:	Cl2N2S2O8H20C23 (1)
Stoich.:	A2B2C2D8E20F23 (1)
Weight, g/mol:	541.89697
ΔH_f, kcal/mol:	-260.4
Dipole, Da:	5.49
IP(EA), eV:	-9.36(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)Cl)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations