Delamanid

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Properties Simple | Detailed

Formula C25H25F3N4O6
IUPAC Name (2r)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3h-imidazo[2,1-b][1,3]oxazole
Molecular Mass 534.484 g·mol−1
Heat of Formation -909.2 ± 16.7 kJ·mol−1
Dipole Moment 8.01 ± 1.08 D
Volume 582.02 Å 3
Surface Area 510.84 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-6-nitro-2-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b]oxazole, (2r)-
  • opc-67683
InChIKey XDAOLTSRNUSPPH-XMMPIXPASA-N
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