Geometry & MOs

Info

ID:	149797
PubChem CID:	53789474
Reduced:	ClFN2O4C13H14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	382.165759
ΔH_f, kcal/mol:	-225.57
Dipole, Da:	7.07
IP(EA), eV:	-9.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[[hydroxy(4-phenylbutyl)phosphoryl]-methylamino]acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)N[C@@](CCC(=O)N)(C(=O)O)Cl)F

DOS

IR

Vibrations