Geometry & MOs

Info

ID:

433402

PubChem CID:

135173539

Reduced:

O4N6C27H32 (1)

Stoich.:

A4B6C27D32 (1)

Weight, g/mol:

707.306747

ΔHf, kcal/mol:

-77.5

Dipole, Da:

6.27

IP(EA), eV:

 -9.26(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7-[2-[2-[2-[2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=NNN=C3)O)O)N4CC5=CC=CC=C5C4=O

DOS

IR

Vibrations