Geometry & MOs

Info

ID:	146847
PubChem CID:	53758799
Reduced:	ClP2O6C13H19 (1)
Stoich.:	AB2C6D13E19 (1)
Weight, g/mol:	367.141973
ΔH_f, kcal/mol:	-354.72
Dipole, Da:	6.8
IP(EA), eV:	-9.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(2-methoxyphenyl)methylidene]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COP1(=O)C(CC(O1)P(=O)(OC)OC)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations