Geometry & MOs

Info

ID:	18546
PubChem CID:	542635
Reduced:	NSO5C8H9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	231.020144
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	3.43
IP(EA), eV:	-11.08(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)sulfonylethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations