Geometry & MOs

Info

ID:	4250
PubChem CID:	11045
Reduced:	SH3N3C6O9 (1)
Stoich.:	AB3C3D6E9 (1)
Weight, g/mol:	292.959
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	2.64
IP(EA), eV:	-12.28(-3.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trinitrobenzenesulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations