Geometry & MOs

Info

ID:	244007
PubChem CID:	99309247
Reduced:	FSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	389.17264
ΔH_f, kcal/mol:	-184.3
Dipole, Da:	1.63
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC=C1C(=O)NCCNC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations