Geometry & MOs

Info

ID:	232200
PubChem CID:	87575696
Reduced:	SF2N2O6C24H34 (1)
Stoich.:	AB2C2D6E24F34 (1)
Weight, g/mol:	234.071267
ΔH_f, kcal/mol:	-384.22
Dipole, Da:	5.78
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dinitro-3-nitroso-1,3,5-triazocane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCN(CC2)C(=O)C3CC(CN3C(=O)OC(C)(C)C)(F)F

DOS

IR

Vibrations