Geometry & MOs

Info

ID:

433295

PubChem CID:

135173432

Reduced:

SO3N4H30C31 (1)

Stoich.:

AB3C4D30E31 (1)

Weight, g/mol:

818.1826

ΔHf, kcal/mol:

-10.9

Dipole, Da:

7.87

IP(EA), eV:

 -8.28(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4-[3-(1,2-dihydropyridin-4-yl)-4-[(1E)-1-iodoimino-2,3-dihydroinden-5-yl]pyrazol-1-yl]phenyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)SNC3=CC(=CC=C3)N4CCN(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations