Geometry & MOs

Info

ID:

433729

PubChem CID:

135173869

Reduced:

N3O8C39H39 (1)

Stoich.:

A3B8C39D39 (1)

Weight, g/mol:

712.300933

ΔHf, kcal/mol:

-160.75

Dipole, Da:

3.04

IP(EA), eV:

 -9.51(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[4-[(3R)-3-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexyl]oxypiperidin-1-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)OCCOC(=O)CCC(=O)ON2C(=O)C3C4CC(C3C2=O)C=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations