Geometry & MOs

Info

ID:	194029
PubChem CID:	78471984
Reduced:	N2O4C17H17 (1)
Stoich.:	A2B4C17D17 (1)
Weight, g/mol:	387.91405
ΔH_f, kcal/mol:	-83.25
Dipole, Da:	4.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781649
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[(4-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CC(=O)[O-])NC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations