Geometry & MOs

Info

ID:

444859

PubChem CID:

135263762

Reduced:

FSO5N6H41C42 (1)

Stoich.:

ABC5D6E41F42 (1)

Weight, g/mol:

552.10823

ΔHf, kcal/mol:

-127.11

Dipole, Da:

5.04

IP(EA), eV:

 -8.36(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[[2-(4-bromophenyl)-6-methoxy-1-benzothiophen-3-yl]oxy]phenoxy]propan-2-yl]piperazine

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)N4CCN(CC4)CC5CCN(CC5)C6=NC=C(C=C6)OC7=C(SC8=C7C=CC(=C8)O)C9=CC=C(C=C9)F

DOS

IR

Vibrations