Geometry & MOs

Info

ID:	10744
PubChem CID:	107564
Reduced:	NI2O4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	524.8934
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	6.86
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C=C2)O)I

DOS

IR

Vibrations