Geometry & MOs

Info

ID:

161855

PubChem CID:

57392859

Reduced:

NO5C21H21 (1)

Stoich.:

AB5C21D21 (1)

Weight, g/mol:

519.254478

ΔHf, kcal/mol:

-154.92

Dipole, Da:

6.06

IP(EA), eV:

 -8.61(-1.47)

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-[(3R)-3-(methoxymethyl)-2-oxopyrrolidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC3=C2C(=C/C(=C\NCC(C)(C)CO)/C3=O)C=O

DOS

IR

Vibrations