Geometry & MOs

Info

ID:	137305
PubChem CID:	52186460
Reduced:	SF3N3O4C17H20 (1)
Stoich.:	AB3C3D4E17F20 (1)
Weight, g/mol:	419.112662
ΔH_f, kcal/mol:	-309.22
Dipole, Da:	5.81
IP(EA), eV:	-9.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-1,1-dioxothiolane-3-carbonyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1C(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations