Geometry & MOs

Info

ID:

433734

PubChem CID:

135173874

Reduced:

N5H31C45 (1)

Stoich.:

A5B31C45 (1)

Weight, g/mol:

833.306078

ΔHf, kcal/mol:

264.99

Dipole, Da:

1.46

IP(EA), eV:

 -8.21(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-hydroxy-6-oxopiperidin-3-yl)-4-[3-[2-[2-[[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]methyl]phenoxy]ethoxy]propoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C/C(=C\C(=C/N=C)\N1C2=C(C3=CC=CC=C3C=C2)C4=C1C=CC5=CC=CC=C54)/C6=NC(=NC(=N6)C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9

DOS

IR

Vibrations