1-{2-Deoxy-5-O-(2,2-Dimethylpropanoyl)-3-O-[(1-Methyl-1,4-Dihydro-3-Pyridinyl)Carbonyl]-D-Erythro-Pentofuranosyl}-5-(Trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C22H15F3N3O7
IUPAC Name carbon dioxide; [(2e)-2-[(4e)-4-(2-methylenecyclopropylidene)-6-[[3,3,3-trifluoro-2-(oxomethyleneammoniocarbonyl)propyl]amino]furo[3,2-d][1,3]dioxin-2-ylidene]pent-3-ynyl]-methylidyne-ammonium
Molecular Mass 490.366 g·mol−1
Heat of Formation 1006.7 ± 16.7 kJ·mol−1
Dipole Moment 22.90 ± 1.08 D
Volume 513.14 Å 3
Surface Area 438.14 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -3.02 ± eV
Point Group Symmetry C1
InChIKey PUUXKDCZTQOAGJ-ARFHVFGLSA-N
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