Geometry & MOs

Info

ID:	228921
PubChem CID:	87566243
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	269.072179
ΔH_f, kcal/mol:	-160.91
Dipole, Da:	5.09
IP(EA), eV:	-9.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxopiperidin-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(=O)C[NH2+]C1

DOS

IR

Vibrations