Geometry & MOs

Info

ID:	76574
PubChem CID:	48425107
Reduced:	F3N4O4C15H23 (1)
Stoich.:	A3B4C4D15E23 (1)
Weight, g/mol:	417.190912
ΔH_f, kcal/mol:	-326.06
Dipole, Da:	7.2
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-2-yl]butane-1-sulfonamide

Drug info:

PubChemData

Smile

CN1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations