Geometry & MOs

Info

ID:	76720
PubChem CID:	48425284
Reduced:	F3N3O3C19H26 (1)
Stoich.:	A3B3C3D19E26 (1)
Weight, g/mol:	410.104261
ΔH_f, kcal/mol:	-274.85
Dipole, Da:	3.12
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations