Geometry & MOs

Info

ID:

447395

PubChem CID:

135282571

Reduced:

O3N5C26H31 (1)

Stoich.:

A3B5C26D31 (1)

Weight, g/mol:

530.117541

ΔHf, kcal/mol:

-44.19

Dipole, Da:

6.35

IP(EA), eV:

 -9.81(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-4-fluoro-3-[(1-hydroxycyclopropyl)methoxy]-6-(2-hydroxypropan-2-yl)isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=N1)C2=C3C=NC=CC3=NC=C2)C#N)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations