The compound with the SMILES representation of O=S(=O)(O)C1=CNC2=C(S(=O)(=O)O)C(S(=O)(=O)O)=CNC2=C1 has a optimized gas-phase HOMO energy at the PBE level of theory of -0.18124 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {optGasHomo__names__noun} of {optGasHomo#} {optGasHomo__units}.