Geometry & MOs

Info

ID:

433571

PubChem CID:

135173711

Reduced:

SF3N6O13C47H49 (1)

Stoich.:

AB3C6D13E47F49 (1)

Weight, g/mol:

800.316977

ΔHf, kcal/mol:

-549.12

Dipole, Da:

7.44

IP(EA), eV:

 -8.41(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[2-[2-[2-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

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)OCCOCCOCCOCCOCCOC6=CC7=C(C=C6)C(=O)N(C7=O)C8CCC(=O)NC8O)F

DOS

IR

Vibrations