Geometry & MOs

Info

ID:	338967
PubChem CID:	127259978
Reduced:	NSO5H11C13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	3.8
IP(EA), eV:	-10.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamidohexyl benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations