(4R,5R)-8,10-Dibromo-N-{3-[2,6-Dibromo-4-(2-{[(2,5-Dioxo-3-Cyclopenten-1-Ylidene)Methyl]Amino}-1-Hydroxyethyl)Phenoxy]Propyl}-4-Hydroxy-9-Methoxy-1,6-Dioxa-2-Azaspiro[4.6]Undeca-2,7,9-Triene-3-Carboxamide

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Properties Simple | Detailed

Formula C27H26Br4N3O9
IUPAC Name (e)-[(2s)-2-[3,5-dibromo-4-[3-[[(4r,5r)-7,9-dibromo-4-hydroxy-8-methoxy-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carbonyl]amino]propoxy]phenyl]-2-hydroxy-ethyl]-[(2,5-dioxocyclopent-3-en-1-yl)methylene]ammonium
Molecular Mass 856.126 g·mol−1
Heat of Formation -853.4 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 726.87 Å 3
Surface Area 589.3 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey ALQMQVUOKZVSGT-NOOLENRPSA-N
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Elements H C Br O N