Geometry & MOs

Info

ID:

433495

PubChem CID:

135173632

Reduced:

SF3N6O12H43C45 (1)

Stoich.:

AB3C6D12E43F45 (1)

Weight, g/mol:

816.311892

ΔHf, kcal/mol:

-495.45

Dipole, Da:

9.71

IP(EA), eV:

 -8.94(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-hydroxy-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)OCCOCCOCCOCCOC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)F

DOS

IR

Vibrations