Geometry & MOs

Info

ID:	5890
PubChem CID:	13961
Reduced:	NI3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	642.8213
ΔH_f, kcal/mol:	-114.5
Dipole, Da:	7.31
IP(EA), eV:	-8.58(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetamido-2,4,6-triiodophenoxy)hexanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)OC1=C(C=C(C(=C1I)NC(=O)C)I)I

DOS

IR

Vibrations