Geometry & MOs

Info

ID:	26663
PubChem CID:	794495
Reduced:	SN2O4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	331.02416
ΔH_f, kcal/mol:	-112.61
Dipole, Da:	6.2
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1S(=O)(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations