Geometry & MOs

Info

ID:	22459
PubChem CID:	597268
Reduced:	ClNSO2F3C14H17 (1)
Stoich.:	ABCD2E3F14G17 (1)
Weight, g/mol:	355.062062
ΔH_f, kcal/mol:	-237.29
Dipole, Da:	5.38
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine

Drug info:

PubChemData

Smile

C1CN(CCC1C(F)(F)F)CCS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations