Table 1.

Electronic energies of the neutral molecular systems (in au) of the anticancer marine peptides, Soblidotin and Tasidotin; the HOMO and LUMO orbital energies, as well as the HOMO–LUMO gap (in eV), and the maximum absorption wavelengths ${\lambda }_{max}$ (in nm).

Molecule	Total Electronic Energy	HOMO	LUMO	HOMO–LUMO Gap	${\mathit{\lambda }}_{\mathit{max}}$
Soblidotin	−2250.5737	−6.3060	−0.7353	5.5707	223
Tasidotin	−1958.1339	−6.2790	−0.6490	5.6300	220