Geometry & MOs

Info

ID:

15716

PubChem CID:

447894

Reduced:

PN3O8C30H50 (1)

Stoich.:

AB3C8D30E50 (1)

Weight, g/mol:

611.333553

ΔHf, kcal/mol:

-465.96

Dipole, Da:

5.72

IP(EA), eV:

 -9.56(-0.12)

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-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations