Geometry & MOs

Info

ID:	66143
PubChem CID:	46499963
Reduced:	FS2O3N4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	460.252606
ΔH_f, kcal/mol:	-73.79
Dipole, Da:	10.33
IP(EA), eV:	-8.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C(=O)N/N=C(/C)\C3=CC=C(C=C3)F)C

DOS

IR

Vibrations