(5S,6R)-N-[2-[2-Amino-4-(3,5,8-Trihydroxy-4-Oxo-2,7-Dihydro-1H-Quinoline-2,3,4A,5,6,7,8,8A-Octaid-6-Yl)-1H-Imidazol-3-Ium-5-Id-5-Yl]Ethyl]-7,9-Dibromo-6-Hydroxy-8-Methoxy-1-Oxa-2-Azaspiro[4.5]Deca-2,7,9-Triene-3-Carboxamide

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Formula C24H32Br2N6O8+
IUPAC Name (5s,6r)-n-[2-[2-amino-4-(3,5,8-trihydroxy-4-oxo-2,7-dihydro-1h-quinoline-2,3,4a,5,6,7,8,8a-octaid-6-yl)-1h-imidazol-3-ium-5-id-5-yl]ethyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Molecular Mass 692.354 g·mol−1
Heat of Formation -783.1 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 626.22 Å 3
Surface Area 465.22 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey KQKXBPXTNXTOHP-BYSMWDNYSA-O
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Elements H C O Br N