[[[3-[Bis(Blah-Λ4-Oxidanylidene)-Λ5-Azanyl]-4-[2-[2-[[1-[(5S)-5-Carboxy-5-[[(1S)-1,3-Dicarboxypropyl]Carbamoylamino]Pentyl]-3-Aza-1-Azonia-2-Azanidacyclopenta-3,5-Dien-4-Yl]Methoxy]Ethoxy]Ethylazanidyl]Phenyl]-Oxo-Λ5-Azanylidene]-Λ4-Oxidanylidene]Hydrogen(1+)

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Properties Simple | Detailed

Formula C25H37N8O13
IUPAC Name [[[3-[bis(blah-λ4-oxidanylidene)-λ5-azanyl]-4-[2-[2-[[1-[(5s)-5-carboxy-5-[[(1s)-1,3-dicarboxypropyl]carbamoylamino]pentyl]-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-4-yl]methoxy]ethoxy]ethylazanidyl]phenyl]-oxo-λ5-azanylidene]-λ4-oxidanylidene]hydrogen(1+)
Molecular Mass 657.607 g·mol−1
Heat of Formation -1519.2 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 746.0 Å 3
Surface Area 623.67 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
InChIKey LUGMXXDMBWQRGS-PMACEKPBSA-P
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