Geometry & MOs

Info

ID:

17240

PubChem CID:

489772

Reduced:

N3O7C37H49 (1)

Stoich.:

A3B7C37D49 (1)

Weight, g/mol:

647.357051

ΔHf, kcal/mol:

-290.07

Dipole, Da:

5.82

IP(EA), eV:

 -9.51(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S,4S,5S)-4-hydroxy-3-(hydroxymethyl)-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations