Geometry & MOs

Info

ID:	231368
PubChem CID:	87573561
Reduced:	SH3N3C6O6 (1)
Stoich.:	AB3C3D6E6 (1)
Weight, g/mol:	245.982081
ΔH_f, kcal/mol:	24.39
Dipole, Da:	3.44
IP(EA), eV:	-10.05(-2.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,3,6-trinitrophenyl)sulfanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations