Geometry & MOs

Info

ID:

404720

PubChem CID:

135069960

Reduced:

ClN2O4H23C32 (1)

Stoich.:

AB2C4D23E32 (1)

Weight, g/mol:

557.249729

ΔHf, kcal/mol:

-19.44

Dipole, Da:

3.98

IP(EA), eV:

 -8.62(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-fluoro-N-(2-pyridin-2-ylpropan-2-yl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(C2=CC(=NC=C2OC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations