2-(5-Amino-6-Oxo-2-Phenyl-6H-Pyrimidin-1-Yl)-N-[2-(5-Tert-Butyl-1,3,4-Oxadiazol-2-Yl)-1-(Methylethyl)-2-Hydroxyethyl]Acetamide

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Properties Simple | Detailed

Formula C23H31N6O4
IUPAC Name 2-(5-amino-6-oxo-2-phenyl-pyrimidin-3-ium-5-id-1-yl)-n-[(1r)-1-[(r)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-2-methyl-propyl]acetamide
Molecular Mass 455.530 g·mol−1
Heat of Formation -482.0 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 551.8 Å 3
Surface Area 403.72 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey HMPQTEPEMQZWQH-QZTJIDSGSA-N
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