Doravirine

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Properties Simple | Detailed

Formula C17H11ClF3N5O3+
IUPAC Name 3-chloro-5-[1-[(4-methyl-5-oxo-1,2,4-triazole-1,4-diium-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-1-ium-3-ylium-3-yl]oxy-benzonitrile
Molecular Mass 425.749 g·mol−1
Heat of Formation -684.0 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 434.8 Å 3
Surface Area 344.36 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 1.33 ± eV
Point Group Symmetry C1
InChIKey ZIAOVIPSKUPPQW-UHFFFAOYSA-N
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Elements C Cl H F O N