Geometry & MOs

Info

ID:	76598
PubChem CID:	48425131
Reduced:	SN2O2F3C15H21 (1)
Stoich.:	AB2C2D3E15F21 (1)
Weight, g/mol:	408.133063
ΔH_f, kcal/mol:	-224.97
Dipole, Da:	3.16
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylsulfonylphenyl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CC2=CSC=C2

DOS

IR

Vibrations