Geometry & MOs

Info

ID:	76600
PubChem CID:	48425133
Reduced:	SN2O2F5C17H21 (1)
Stoich.:	AB2C2D5E17F21 (1)
Weight, g/mol:	408.149462
ΔH_f, kcal/mol:	-325.93
Dipole, Da:	3.91
IP(EA), eV:	-9.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)sulfanyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CC=CC=C2SC(F)F

DOS

IR

Vibrations