6-(7-Chloro-1,8-Naphthyridin-2-Yl)-1-Oxido-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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Formula C20H22ClN5O5S2+
IUPAC Name [(4r,7r)-6-(7-chloro-1,8-naphthyridine-1,8-diium-4a-id-2-yl)-4,5-dioxo-3,7-dihydro-2h-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methyl-4-oxido-piperazin-4-ium-1-carboxylate
Molecular Mass 512.002 g·mol−1
Heat of Formation -253.0 ± 16.7 kJ·mol−1
Dipole Moment 10.21 ± 1.08 D
Volume 527.8 Å 3
Surface Area 395.93 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey GFCPXMGZCYONLV-AONNBLCTSA-N
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