Geometry & MOs

Info

ID:	76563
PubChem CID:	48425087
Reduced:	SN2O2F3C15H27 (1)
Stoich.:	AB2C2D3E15F27 (1)
Weight, g/mol:	415.175262
ΔH_f, kcal/mol:	-267.06
Dipole, Da:	2.81
IP(EA), eV:	-8.74(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CSCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations