Geometry & MOs

Info

ID:

433331

PubChem CID:

135173468

Reduced:

N3O4C25H25 (2)

Stoich.:

A3B4C25D25 (2)

Weight, g/mol:

936.335285

ΔHf, kcal/mol:

-125.4

Dipole, Da:

12.48

IP(EA), eV:

 -8.69(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-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

CC1=C(C=CC=C1OCCCOCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)N4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7)C(=O)N(C=O)C(CCC=O)C(=O)NC

DOS

IR

Vibrations