Geometry & MOs

Info

ID:

446875

PubChem CID:

135278393

Reduced:

BrSO5H25C32 (1)

Stoich.:

ABC5D25E32 (1)

Weight, g/mol:

792.16172

ΔHf, kcal/mol:

-60.54

Dipole, Da:

4.89

IP(EA), eV:

 -8.45(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[4-[3-[4-[[2-(4-bromophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]cyclobutyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(S3)C4=CC=C(C=C4)Br)OC5=CC=C(C=C5)OC6CC(=O)C6

DOS

IR

Vibrations