Geometry & MOs

Info

ID:	76535
PubChem CID:	48425052
Reduced:	SN2F3O4C15H27 (1)
Stoich.:	AB2C3D4E15F27 (1)
Weight, g/mol:	414.180013
ΔH_f, kcal/mol:	-359.18
Dipole, Da:	1.63
IP(EA), eV:	-9.09(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations