The molecular species with the SMILES O=S(=O)(O)C1=CC2=C(S(=O)(=O)O)C(S(=O)(=O)O)=CNC2=C(S(=O)(=O)O)N1 has a optimized gas-phase molecular energy at the PBE level of theory of -1042.05228 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {optGasEnergy__names__noun} of {optGasEnergy#} {optGasEnergy__units}.