Geometry & MOs

Info

ID:

161883

PubChem CID:

57392936

Reduced:

F2N4O5C31H40 (1)

Stoich.:

A2B4C5D31E40 (1)

Weight, g/mol:

531.290863

ΔHf, kcal/mol:

-280.31

Dipole, Da:

7.1

IP(EA), eV:

 -8.49(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNCC2=CC(=CC=C2)OC)O)N3CC[C@@](C3=O)(CC4CC4)NC(=O)C

DOS

IR

Vibrations