Geometry & MOs

Info

ID:

15717

PubChem CID:

447895

Reduced:

PN3O9C29H40 (1)

Stoich.:

AB3C9D29E40 (1)

Weight, g/mol:

605.250217

ΔHf, kcal/mol:

-433.3

Dipole, Da:

5.11

IP(EA), eV:

 -9.64(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-[(1R)-3-methyl-1-[[(2R)-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butyl]phosphinic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CC(C)C)P(=O)(O)O[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@@H](C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations