Geometry & MOs

Info

ID:	45135
PubChem CID:	10508270
Reduced:	SN3O3H8C15F17 (1)
Stoich.:	AB3C3D8E15F17 (1)
Weight, g/mol:	632.14458
ΔH_f, kcal/mol:	-900.15
Dipole, Da:	1.76
IP(EA), eV:	-9.69(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,9,19-tetrazoniapentacyclo[17.2.2.21,19.26,9.26,9]nonacos-3-yne;dibromide;dichloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NNC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N

DOS

IR

Vibrations