Geometry & MOs

Info

ID:	9696
PubChem CID:	92465
Reduced:	NSH5C7O8 (1)
Stoich.:	ABC5D7E8 (1)
Weight, g/mol:	262.973587
ΔH_f, kcal/mol:	-233.13
Dipole, Da:	3.08
IP(EA), eV:	-11.48(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-nitro-5-sulfobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)O)O)[N+](=O)[O-])S(=O)(=O)O

DOS

IR

Vibrations