Geometry & MOs

Info

ID:	339965
PubChem CID:	127261974
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	479.122253
ΔH_f, kcal/mol:	-169.49
Dipole, Da:	8.89
IP(EA), eV:	-9.58(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N(CCS(=O)(=O)O)[C@@H](CC2=CC=CC=C2)C(=O)N)N

DOS

IR

Vibrations