Geometry & MOs

Info

ID:	87297
PubChem CID:	49893832
Reduced:	NSO3H10C14 (2)
Stoich.:	ABC3D10E14 (2)
Weight, g/mol:	695.90767
ΔH_f, kcal/mol:	-129.85
Dipole, Da:	4.98
IP(EA), eV:	-8.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3OS(=O)(=O)C4=CC5=CC=CC=C5C=C4)/SC2=O

DOS

IR

Vibrations