Geometry & MOs

Info

ID:

433512

PubChem CID:

135173649

Reduced:

N6O10C41H44 (1)

Stoich.:

A6B10C41D44 (1)

Weight, g/mol:

904.234962

ΔHf, kcal/mol:

-261.07

Dipole, Da:

8.57

IP(EA), eV:

 -8.8(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCOCCOCCOCCOCCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7

DOS

IR

Vibrations