Geometry & MOs

Info

ID:	344722
PubChem CID:	127268310
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	273.101034
ΔH_f, kcal/mol:	-140.33
Dipole, Da:	6.84
IP(EA), eV:	-8.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropylsulfonyl)-3-(trifluoromethyl)piperidine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations