Geometry & MOs

Info

ID:

433523

PubChem CID:

135173662

Reduced:

O3N4C24H28 (1)

Stoich.:

A3B4C24D28 (1)

Weight, g/mol:

770.270027

ΔHf, kcal/mol:

-1.79

Dipole, Da:

6.58

IP(EA), eV:

 -8.76(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COCCOCCCCN1C=C(C(=N1)C2=CC=NC=C2)C3=CC4=C(C=C3)/C(=N/O)/CC4

DOS

IR

Vibrations