Geometry & MOs

Info

ID:

16996

PubChem CID:

481830

Reduced:

N5O7C37H51 (1)

Stoich.:

A5B7C37D51 (1)

Weight, g/mol:

677.378849

ΔHf, kcal/mol:

-294.16

Dipole, Da:

2.37

IP(EA), eV:

 -9.14(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)OCC3=CC=CC=N3

DOS

IR

Vibrations