Geometry & MOs

Info

ID:

433384

PubChem CID:

135173521

Reduced:

F3O3N4H21C32 (1)

Stoich.:

A3B3C4D21E32 (1)

Weight, g/mol:

568.191104

ΔHf, kcal/mol:

-112.89

Dipole, Da:

3.97

IP(EA), eV:

 -8.85(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-(6-chloro-1-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC3=C(C=CN=C3NC2=O)OC4=CC5=C(C=C4)O[C@@H]6[C@H]5[C@H]6C7=NC8=C(N7)C=C(C=C8)C(F)(F)F

DOS

IR

Vibrations