The molecular species with the SMILES O=C(O)C1=CNNc2c(C(=O)O)c(C(=O)O)cc(C(=O)O)c21 has a optimized gas-phase HOMO energy at the PBE level of theory of -0.19353 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}.