Geometry & MOs

Info

ID:	22204
PubChem CID:	596277
Reduced:	NCl2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	383.032728
ΔH_f, kcal/mol:	-182.16
Dipole, Da:	6.3
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations