Geometry & MOs

Info

ID:	76438
PubChem CID:	48424926
Reduced:	SO2F3N3C15H22 (1)
Stoich.:	AB2C3D3E15F22 (1)
Weight, g/mol:	388.164363
ΔH_f, kcal/mol:	-223.46
Dipole, Da:	4.31
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propylsulfonyl-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)CCC2=NC=CS2

DOS

IR

Vibrations