Geometry & MOs

Info

ID:	10543
PubChem CID:	104018
Reduced:	N2I3O3H15C17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	675.8217
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	4.83
IP(EA), eV:	-8.94(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate

Drug info:

PubChemData

Smile

COC(=O)CCN(C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2I)I)N)I

DOS

IR

Vibrations