Geometry & MOs

Info

ID:

433570

PubChem CID:

135173710

Reduced:

N3O4H20C21 (2)

Stoich.:

A3B4C20D21 (2)

Weight, g/mol:

994.303041

ΔHf, kcal/mol:

-142.6

Dipole, Da:

4.0

IP(EA), eV:

 -8.77(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCOC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)/C(=N/O)/CC8

DOS

IR

Vibrations