Geometry & MOs

Info

ID:

433521

PubChem CID:

135173660

Reduced:

N4O4C23H26 (1)

Stoich.:

A4B4C23D26 (1)

Weight, g/mol:

723.301661

ΔHf, kcal/mol:

-40.03

Dipole, Da:

7.03

IP(EA), eV:

 -8.86(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[2-[2-[2-[4-[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

COCCOCC(CN1C=C(C(=N1)C2=CC=NC=C2)C3=CC4=C(C=C3)/C(=N/O)/CC4)O

DOS

IR

Vibrations