Geometry & MOs

Info

ID:

447406

PubChem CID:

135282637

Reduced:

Cl2N3O3C25H25 (1)

Stoich.:

A2B3C3D25E25 (1)

Weight, g/mol:

590.166303

ΔHf, kcal/mol:

-63.17

Dipole, Da:

5.37

IP(EA), eV:

 -9.42(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyrimidin-2-yl)methyl]-4-fluoro-6-[1-(4-fluoro-1-methylpiperidin-4-yl)-1-hydroxypropyl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

CC(CNC)(C1=CC2=C(C=C1)[C@@](N(C2=O)CC3=NC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OC)O

DOS

IR

Vibrations