Geometry & MOs

Info

ID:	178748
PubChem CID:	76375390
Reduced:	NCl4O6H9C11 (1)
Stoich.:	AB4C6D9E11 (1)
Weight, g/mol:	503.194713
ΔH_f, kcal/mol:	-223.1
Dipole, Da:	9.37
IP(EA), eV:	-10.11(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-1-[2-[phenylmethoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]acetyl]pyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C12C(=O)C(=O)C1(N(C2=O)C)Cl)OC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations