Geometry & MOs

Info

ID:

433299

PubChem CID:

135173436

Reduced:

SN4O5H30C31 (1)

Stoich.:

AB4C5D30E31 (1)

Weight, g/mol:

690.270302

ΔHf, kcal/mol:

-98.23

Dipole, Da:

10.44

IP(EA), eV:

 -8.73(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-(1-imino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC(=CC=C3)N4CCN(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations