Geometry & MOs

Info

ID:

433441

PubChem CID:

135173578

Reduced:

SF2N5O5H27C28 (1)

Stoich.:

AB2C5D5E27F28 (1)

Weight, g/mol:

735.301661

ΔHf, kcal/mol:

-215.15

Dipole, Da:

5.28

IP(EA), eV:

 -9.0(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)NC(=O)CCCC(=O)N)F

DOS

IR

Vibrations