Geometry & MOs

Info

ID:	444846
PubChem CID:	135263745
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	507.166828
ΔH_f, kcal/mol:	-129.94
Dipole, Da:	7.33
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[2-(4-fluorophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenyl]-1,2,3,6-tetrahydropyridine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)N)C2=CSC3=C2OC(=CC3=O)N4CCOCC4

DOS

IR

Vibrations