Geometry & MOs

Info

ID:

433406

PubChem CID:

135173543

Reduced:

O5N7H37C41 (1)

Stoich.:

A5B7C37D41 (1)

Weight, g/mol:

928.282581

ΔHf, kcal/mol:

-53.31

Dipole, Da:

6.8

IP(EA), eV:

 -8.82(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)N4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)C(=O)CC7)C(=O)N(C=O)C8CCC(=O)NC8=O

DOS

IR

Vibrations