Raltegravir

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Formula C20H21FN6O5
IUPAC Name n-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl]-1-methyl-ethyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
Molecular Mass 444.416 g·mol−1
Heat of Formation -639.5 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 499.3 Å 3
Surface Area 426.54 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey CZFFBEXEKNGXKS-UHFFFAOYSA-N
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