Geometry & MOs

Info

ID:	203687
PubChem CID:	79858712
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	303.186815
ΔH_f, kcal/mol:	-105.35
Dipole, Da:	3.26
IP(EA), eV:	-8.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C(=O)C1=CC2=C(C=C1)NCC2

DOS

IR

Vibrations