Geometry & MOs

Info

ID:	37657
PubChem CID:	8022878
Reduced:	PO6H17C18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	362.091925
ΔH_f, kcal/mol:	-182.39
Dipole, Da:	2.04
IP(EA), eV:	-9.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-carboxy-2-phenylethyl]-hydroxyphosphoryl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C(=O)[O-])P(=O)([C@@H](CC2=CC=CC=C2)C(=O)[O-])O

DOS

IR

Vibrations