Ethyl (9S)-9-[5-(1H-Benzimidazol-2-Ylsulfanyl)-2-Furyl]-8-Hydroxy-5,6,7,9-Tetrahydro-2H-Pyrrolo[3,4-B]Quinoline-3-Carboxylate

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Properties Simple | Detailed

Formula C25H22N4O4S
IUPAC Name ethyl (9s)-9-[5-(benzimidazol-1-ium-2-ylsulfanyl)-2-furyl]-8-hydroxy-5,6,7,9-tetrahydropyrrolo[3,4-b]quinolin-2-ium-3a-ylium-3-carboxylate
Molecular Mass 474.532 g·mol−1
Heat of Formation -163.0 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 532.22 Å 3
Surface Area 390.62 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey POXQKNUAFHJFKI-HXUWFJFHSA-N
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