Geometry & MOs

Info

ID:	438702
PubChem CID:	135228453
Reduced:	INO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	427.02805
ΔH_f, kcal/mol:	-9.15
Dipole, Da:	2.49
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(ethylamino)-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC=CC=C2)I)C[C@@H](C=O)N

DOS

IR

Vibrations