Geometry & MOs

Info

ID:

433569

PubChem CID:

135173709

Reduced:

N6O7H40C41 (1)

Stoich.:

A6B7C40D41 (1)

Weight, g/mol:

756.290762

ΔHf, kcal/mol:

-124.31

Dipole, Da:

8.84

IP(EA), eV:

 -8.78(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC2=C1C=CC(=C2)C3=CN(N=C3C4=CC=NC=C4)C5=CC=C(C=C5)OCCOCCOC6=CC7=C(C=C6)C(=O)N(C7)C8CCC(=O)NC8=O)NO

DOS

IR

Vibrations