Geometry & MOs

Info

ID:

433785

PubChem CID:

135173927

Reduced:

N6O9C39H40 (1)

Stoich.:

A6B9C39D40 (1)

Weight, g/mol:

668.238333

ΔHf, kcal/mol:

-209.5

Dipole, Da:

10.13

IP(EA), eV:

 -8.94(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCOCCOCCOCCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7

DOS

IR

Vibrations