Geometry & MOs

Info

ID:	76543
PubChem CID:	48425062
Reduced:	SO2F3N3C17H24 (1)
Stoich.:	AB2C3D3E17F24 (1)
Weight, g/mol:	408.19844
ΔH_f, kcal/mol:	-219.27
Dipole, Da:	6.44
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSCC2=CN=CC=C2

DOS

IR

Vibrations