(5R,6R,7R,8S)-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 C17H21N4O5+
IUPAC Name 2-(acetamidomethyl)-n-phenyl-1h-imidazol-3-ium-5-ide-5-carboxamide; but-1-yn-1-ol; hydron; dihydrate
Molecular Mass 361.372 g·mol−1
Heat of Formation 1460.8 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 391.65 Å 3
Surface Area 382.68 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -2.72 ± eV
Point Group Symmetry C1
InChIKey WWSQBPPKQTUEDT-KBUPBQIOSA-O
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