Geometry & MOs

Info

ID:	446846
PubChem CID:	135278177
Reduced:	BrSN2O5H37C43 (1)
Stoich.:	ABC2D5E37F43 (1)
Weight, g/mol:	585.09733
ΔH_f, kcal/mol:	-28.85
Dipole, Da:	11.19
IP(EA), eV:	-8.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[2-(4-bromophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenoxy]piperidine

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)Br)C7CN(C7)C8=CC9=C(C=C8)C(=O)OC9

DOS

IR

Vibrations