Geometry & MOs

Info

ID:

433322

PubChem CID:

135173459

Reduced:

SF2O6N9C40H41 (1)

Stoich.:

AB2C6D9E40F41 (1)

Weight, g/mol:

720.280866

ΔHf, kcal/mol:

-183.92

Dipole, Da:

13.1

IP(EA), eV:

 -7.98(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N/C(=C(/C(=C(\C)/F)/N1C=C(C2=C1C=CC(=N2)N(C)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CN=CN=C7)\F)/C=C

DOS

IR

Vibrations