Geometry & MOs

Info

ID:	339017
PubChem CID:	127260028
Reduced:	SO3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	297.067094
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	4.51
IP(EA), eV:	-10.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-nitrocyclopent-3-en-1-yl)ethyl benzenesulfonate

Drug info:

PubChemData

Smile

CCCCCC(C)CCCOS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations