Geometry & MOs

Info

ID:	76723
PubChem CID:	48425288
Reduced:	SN2O2F3C19H25 (1)
Stoich.:	AB2C2D3E19F25 (1)
Weight, g/mol:	365.156241
ΔH_f, kcal/mol:	-236.75
Dipole, Da:	2.58
IP(EA), eV:	-8.34(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(S2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F)C=C1

DOS

IR

Vibrations