Geometry & MOs

Info

ID:	360723
PubChem CID:	127301368
Reduced:	F3O3N4C16H25 (1)
Stoich.:	A3B3C4D16E25 (1)
Weight, g/mol:	392.112996
ΔH_f, kcal/mol:	-283.01
Dipole, Da:	6.58
IP(EA), eV:	-9.01(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C(=O)CN3CCOCC3)CC(F)(F)F

DOS

IR

Vibrations