Geometry & MOs

Info

ID:

17007

PubChem CID:

482012

Reduced:

N4O8C37H50 (1)

Stoich.:

A4B8C37D50 (1)

Weight, g/mol:

678.362865

ΔHf, kcal/mol:

-324.65

Dipole, Da:

7.74

IP(EA), eV:

 -8.81(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(2-oxo-2-pyridin-2-ylethoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=C(C=C2)OCC(=O)C3=CC=CC=N3)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations