Formula | F2O2S4N6H22C32 |
Reduced formula | FOS2N3H11C16 |
Stoichiometry | ABC2D3E11F16 |
Number of species | 6 |
Number of atoms | 68 |
Unique ID | 17 |
Packing density | 0.050 |
Dipole moment [Debye] | 1.531 |
HOMO-LUMO gap (B3LYP) [eV] | 2.787 |
HOMO (B3LYP) [eV] | -5.300 |
LUMO (B3LYP) [eV] | -2.513 |
Unit | Dimer |
GS Energy [eV] | -95366.425 |