Geometry & MOs

Info

ID:

446876

PubChem CID:

135278399

Reduced:

BrSN4O6H37C41 (1)

Stoich.:

ABC4D6E37F41 (1)

Weight, g/mol:

839.29644

ΔHf, kcal/mol:

-115.13

Dipole, Da:

8.59

IP(EA), eV:

 -8.62(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[4-[1-[2-[4-[[6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperidin-4-yl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)N4CCN(CC4)C5CC(C5)OC6=CC=C(C=C6)OC7=C(SC8=C7C=CC(=C8)O)C9=CC=C(C=C9)Br

DOS

IR

Vibrations