Geometry & MOs

Info

ID:	137304
PubChem CID:	52186459
Reduced:	F3N3O3C19H22 (1)
Stoich.:	A3B3C3D19E22 (1)
Weight, g/mol:	419.112662
ΔH_f, kcal/mol:	-239.11
Dipole, Da:	1.75
IP(EA), eV:	-9.12(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](CNC(=O)NC2=CC=CC=C2C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations