Ceratinadin A

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Formula C24H30Br2N5O8+
IUPAC Name (5s,6r)-7,9-dibromo-6-hydroxy-8-methoxy-n-[2-[3-(3,5,8-trihydroxy-4-oxo-2,7-dihydro-1h-quinoline-2,3,4a,5,6,7,8,8a-octaid-6-yl)-4h-imidazol-3-ium-4-ylium-5-yl]ethyl]-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Molecular Mass 676.332 g·mol−1
Heat of Formation -749.3 ± 16.7 kJ·mol−1
Dipole Moment 12.11 ± 1.08 D
Volume 620.73 Å 3
Surface Area 473.18 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey ZWKWCDKTCUKSQC-LADGPHEKSA-N
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Elements H C O Br N