Geometry & MOs

Info

ID:	339966
PubChem CID:	127261975
Reduced:	P2N3O9C17H27 (1)
Stoich.:	A2B3C9D17E27 (1)
Weight, g/mol:	493.137904
ΔH_f, kcal/mol:	-486.89
Dipole, Da:	2.42
IP(EA), eV:	-9.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(2S)-pyrrolidine-2-carbonyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)N(CCC(O)(P(=O)(O)O)P(=O)(O)O)[C@@H](CC2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations