Geometry & MOs

Info

ID:	5889
PubChem CID:	13960
Reduced:	NNaI3O4C14H15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	664.8033
ΔH_f, kcal/mol:	-188.39
Dipole, Da:	5.99
IP(EA), eV:	-8.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-(3-acetamido-2,4,6-triiodophenoxy)hexanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)[O-])OC1=C(C=C(C(=C1I)NC(=O)C)I)I.[Na+]

DOS

IR

Vibrations