Geometry & MOs

Info

ID:	140874
PubChem CID:	52775381
Reduced:	SO2F3N4H21C22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	416.192292
ΔH_f, kcal/mol:	-103.21
Dipole, Da:	6.06
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=C(SC=C2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations