Geometry & MOs

Info

ID:	270822
PubChem CID:	103638300
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	330.155512
ΔH_f, kcal/mol:	-3.44
Dipole, Da:	5.09
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2,4,5-trifluoroanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CCNS(=O)(=O)C1=CC=CC(=C1)C#N)C2CC2

DOS

IR

Vibrations