Geometry & MOs

Info

ID:	22592
PubChem CID:	597858
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-71.3
Dipole, Da:	5.43
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butylsulfonyl-N,N-dimethylbenzeneamine oxide

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)[N+](C)(C)[O-]

DOS

IR

Vibrations