Geometry & MOs

Info

ID:

446854

PubChem CID:

135278227

Reduced:

BrSN4O7H43C45 (1)

Stoich.:

ABC4D7E43F45 (1)

Weight, g/mol:

849.18318

ΔHf, kcal/mol:

-171.76

Dipole, Da:

8.3

IP(EA), eV:

 -8.5(-1.69)

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]azetidin-3-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4CCN(CC4)C5CCN(CC5)CCOC6=CC=C(C=C6)OC7=C(SC8=C7C=CC(=C8)O)C9=CC=C(C=C9)Br

DOS

IR

Vibrations