Geometry & MOs

Info

ID:

433513

PubChem CID:

135173650

Reduced:

SF3N6O11H39C43 (1)

Stoich.:

AB3C6D11E39F43 (1)

Weight, g/mol:

948.261177

ΔHf, kcal/mol:

-447.04

Dipole, Da:

9.16

IP(EA), eV:

 -8.75(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)S(=O)(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)C5=CC=C(C=C5)OCCOCCOCCOC6=CC7=C(C=C6)C(=O)N(C7=O)C8CCC(=O)NC8=O)F

DOS

IR

Vibrations