Geometry & MOs

Info

ID:	87339
PubChem CID:	49894176
Reduced:	INSO4H24C27 (1)
Stoich.:	ABCD4E24F27 (1)
Weight, g/mol:	643.87637
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	2.92
IP(EA), eV:	-9.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC4=CC=C(C=C4)C)OC)/SC2=O

DOS

IR

Vibrations