The molecular species with the SMILES O=S(=O)(O)C1=Cc2cccc(S(=O)(=O)O)c2NN1 has a optimized gas-phase HOMO energy at the PBE level of theory of -0.15925 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}.