Geometry & MOs

Info

ID:	2854
PubChem CID:	8740
Reduced:	NSH5O5C6 (1)
Stoich.:	ABC5D5E6 (1)
Weight, g/mol:	202.988843
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	1.67
IP(EA), eV:	-11.17(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitrobenzenesulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations