Etamicastat

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Properties Simple | Detailed

Formula C14H15F2N3OS
IUPAC Name 5-(2-aminoethyl)-1-[(3r)-6,8-difluorochroman-3-yl]imidazole-1,3-diium-2-thione
Molecular Mass 311.350 g·mol−1
Heat of Formation -315.5 ± 16.7 kJ·mol−1
Dipole Moment 8.50 ± 1.08 D
Volume 344.07 Å 3
Surface Area 307.38 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-aminoethyl)-1-[(3r)-6,8-difluoro-3-chromanyl]-3h-imidazole-2-thione
InChIKey CWWWTTYMUOYSQA-LLVKDONJSA-N
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