Geometry & MOs

Info

ID:	160930
PubChem CID:	57390282
Reduced:	SF3N3O4H14C19 (1)
Stoich.:	AB3C3D4E14F19 (1)
Weight, g/mol:	480.222449
ΔH_f, kcal/mol:	-175.65
Dipole, Da:	7.44
IP(EA), eV:	-8.85(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=C(SC=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations