Geometry & MOs

Info

ID:	37656
PubChem CID:	8022867
Reduced:	N4O4C16H23 (1)
Stoich.:	A4B4C16D23 (1)
Weight, g/mol:	360.076275
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752054
Charge, e:	-2

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-carboxylato-2-phenylethyl]-hydroxyphosphoryl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC(=C(C=C1)O)O)/CC(=O)N2CC[NH+](CC2)C

DOS

IR

Vibrations