Geometry & MOs

Info

ID:	339019
PubChem CID:	127260030
Reduced:	NSO5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	271.051444
ΔH_f, kcal/mol:	-118.16
Dipole, Da:	3.5
IP(EA), eV:	-9.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitrocyclopentyl) benzenesulfonate

Drug info:

PubChemData

Smile

C1CC(=CCC1[N+](=O)[O-])CCCOS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations