Geometry & MOs

Info

ID:

433568

PubChem CID:

135173708

Reduced:

N3O5C23H24 (2)

Stoich.:

A3B5C23D24 (2)

Weight, g/mol:

728.295848

ΔHf, kcal/mol:

-229.87

Dipole, Da:

7.46

IP(EA), eV:

 -8.75(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCOCCOCCOC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)/C(=N/O)/CC8

DOS

IR

Vibrations