Geometry & MOs

Info

ID:

433744

PubChem CID:

135173885

Reduced:

N3O4C35H35 (1)

Stoich.:

A3B4C35D35 (1)

Weight, g/mol:

936.335285

ΔHf, kcal/mol:

-43.42

Dipole, Da:

7.0

IP(EA), eV:

 -8.49(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfinamide

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2)/C(=C(\C3=CC=NC=C3)/N)/C=NC4=CC=C(C=C4)C5=CC=C(C=C5)OCCCOCCCO

DOS

IR

Vibrations