Geometry & MOs

Info

ID:

433439

PubChem CID:

135173576

Reduced:

SF2O6N9C44H49 (1)

Stoich.:

AB2C6D9E44F49 (1)

Weight, g/mol:

682.253983

ΔHf, kcal/mol:

-199.9

Dipole, Da:

5.63

IP(EA), eV:

 -8.49(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(C1CCN(CC1)CCOC2=CC=CC3=C2C(=O)N(C3=O)C4CCCNC4=O)C5=NC6=C(C=C5)N(C=C6C7=CN=CN=C7)C8=C(C=CC(=C8F)NS(=O)(=O)CCC)F

DOS

IR

Vibrations