Eprotirome

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Properties Simple | Detailed

Formula C18H17Br2NO5
IUPAC Name 3-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-3-oxo-propanoic acid
Molecular Mass 487.139 g·mol−1
Heat of Formation -718.9 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 450.85 Å 3
Surface Area 379.33 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]amino]-3-keto-propionic acid
  • 3-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]amino]-3-oxo-propanoic acid
  • 3-[[3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenyl]amino]-3-oxopropanoic acid
  • 3-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-yl-phenoxy)phenyl]amino]-3-oxo-propanoic acid
  • 3-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]amino]-3-oxopropanoic acid
InChIKey VPCSYAVXDAUHLT-UHFFFAOYSA-N
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Elements H C O Br N