8-Acetamido-6,7-Dihydroxy-5-(Hydroxymethyl)-2-(Phenylcarbamoyl)-5,6,7,8-Tetrahydro-1H-Imidazo[1,2-A]Pyridin-4-Ium

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Formula C17H10N4O5
IUPAC Name formaldehyde; [2-(hexa-1,3,5-triynylcarbamoyl)-6-oxo-5-(oxomethylene)-3,9-dihydroimidazo[2,1-c][1,4]oxazepin-1-ium-9-yl]-methylidyne-ammonium
Molecular Mass 350.285 g·mol−1
Heat of Formation 1460.3 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 388.46 Å 3
Surface Area 378.36 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -2.53 ± eV
Point Group Symmetry C1
InChIKey WWSQBPPKQTUEDT-UHFFFAOYSA-O
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