Geometry & MOs

Info

ID:

161219

PubChem CID:

57391073

Reduced:

F3N3O3H14C19 (1)

Stoich.:

A3B3C3D14E19 (1)

Weight, g/mol:

557.306513

ΔHf, kcal/mol:

-182.42

Dipole, Da:

5.33

IP(EA), eV:

 -8.36(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=N/NC(=O)C2=CNC3=C(C2=O)C=CC=C3C(F)(F)F

DOS

IR

Vibrations