Geometry & MOs

Info

ID:

446877

PubChem CID:

135278402

Reduced:

SF3N5O6H44C45 (1)

Stoich.:

AB3C5D6E44F45 (1)

Weight, g/mol:

863.19883

ΔHf, kcal/mol:

-289.11

Dipole, Da:

9.66

IP(EA), eV:

 -8.73(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[1-[2-[4-[[2-(4-bromophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperidin-4-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)N4CCN(CC4)C5CCN(CC5)CCOC6=CC=C(C=C6)OC7=C(SC8=C7C=CC(=C8)O)C9=CC=C(C=C9)C(F)(F)F

DOS

IR

Vibrations