Geometry & MOs

Info

ID:	11983
PubChem CID:	125488
Reduced:	NSF2H3O5C6 (1)
Stoich.:	ABC2D3E5F6 (1)
Weight, g/mol:	238.97
ΔH_f, kcal/mol:	-193.28
Dipole, Da:	4.42
IP(EA), eV:	-11.79(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-5-nitrobenzenesulfonic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1S(=O)(=O)O)F)F)[N+](=O)[O-]

DOS

IR

Vibrations