6-(7-Chloro-1,8-Naphthyridin-2-Yl)-7-Oxo-2,3,6,7-Tetrahydro-5H-[1,4]Dithiino[2,3-C]Pyrrol-5-Yl 4-Methyl-1-Piperazinecarboxylate 4-Oxide

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Properties Simple | Detailed

Formula C20H20ClN5O4S2
IUPAC Name [(7r)-6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2h-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methyl-4-oxido-piperazin-4-ium-1-carboxylate
Molecular Mass 493.987 g·mol−1
Heat of Formation 2159.5 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 523.38 Å 3
Surface Area 413.44 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -2.27 ± eV
Point Group Symmetry C1
InChIKey IKKQUKXEIHSBEI-IBGZPJMESA-N
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