(E)-N-[(1R,2R)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]-3-(6-Methyl-2,4-Dioxo-1H-Pyrimidin-5-Yl)Prop-2-Enamide

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Properties Simple | Detailed

Formula C17H18N4O7
IUPAC Name (e)-n-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(4-methyl-2,6-dioxo-pyrimidin-5-yl)prop-2-enamide
Molecular Mass 390.347 g·mol−1
Heat of Formation -780.8 ± 16.7 kJ·mol−1
Dipole Moment 11.30 ± 1.08 D
Volume 434.98 Å 3
Surface Area 386.93 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey IQMUZJHDOBKTRE-ZNTRNPIHSA-P
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