The molecule with the SMILES Nc1c(O)c(S(=O)(=O)O)c(N)c(O)c1S(=O)(=O)O has a optimized gas-phase HOMO energy at the PBE level of theory of -0.21147 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}.