Geometry & MOs

Info

ID:	87824
PubChem CID:	49897752
Reduced:	NSCl2O3H19C28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	541.89697
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	3.43
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC(=C(C=C4)OCC5=CC=CC=C5Cl)Cl)/SC3=O

DOS

IR

Vibrations