Geometry & MOs

Info

ID:	293698
PubChem CID:	117397126
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	4.91
IP(EA), eV:	-8.33(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethyl-2-methylsulfonylphenyl)-2-(methylamino)ethanol

Drug info:

PubChemData

Smile

CNCC(C1=C(C(=CC(=C1)OC)SC)OC)O

DOS

IR

Vibrations