Geometry & MOs

Info

ID:	76639
PubChem CID:	48425181
Reduced:	SO2F3N4C18H23 (1)
Stoich.:	AB2C3D4E18F23 (1)
Weight, g/mol:	408.149462
ΔH_f, kcal/mol:	-195.89
Dipole, Da:	4.08
IP(EA), eV:	-8.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CNC(=C2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations