Geometry & MOs

Info

ID:	7101
PubChem CID:	71212
Reduced:	NI3O4H12C15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	650.79
ΔH_f, kcal/mol:	-58.48
Dipole, Da:	3.62
IP(EA), eV:	-8.91(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@H](C(=O)O)N)I)I)O

DOS

IR

Vibrations