Geometry & MOs

Info

ID:

17239

PubChem CID:

489770

Reduced:

N3O8C37H47 (1)

Stoich.:

A3B8C37D47 (1)

Weight, g/mol:

661.336315

ΔHf, kcal/mol:

-339.86

Dipole, Da:

3.59

IP(EA), eV:

 -9.49(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-5-phenylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations