Geometry & MOs

Info

ID:

433720

PubChem CID:

135173860

Reduced:

SF2O6N9C41H43 (1)

Stoich.:

AB2C6D9E41F43 (1)

Weight, g/mol:

811.307593

ΔHf, kcal/mol:

-182.81

Dipole, Da:

14.86

IP(EA), eV:

 -8.57(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[[1-[2-[1,3-dioxo-2-(2-oxopiperidin-3-yl)isoindol-4-yl]oxyethyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfinamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCCNC7=O)C8=CN=CN=C8)F

DOS

IR

Vibrations