4-[3-(Benzoylamino)Phenyl]-1-(2-Deoxy-5-O-Phosphonopentofuranosyl)-1H-Imidazole

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Formula C21H22N3O7P
IUPAC Name [(2r,3s,5r)-5-[4-(3-benzamidophenyl)-2h-imidazol-1-ium-2-ylium-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 459.389 g·mol−1
Heat of Formation -1199.9 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 506.2 Å 3
Surface Area 457.72 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey OCVGIISTWVVLJA-XUVXKRRUSA-N
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