Arbidol

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Properties Simple | Detailed

Formula C22H25BrN2O3S
IUPAC Name ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indol-1-ium-3-carboxylate
Molecular Mass 477.415 g·mol−1
Heat of Formation -317.1 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 506.39 Å 3
Surface Area 412.79 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester
  • 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester
  • 6-bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1h-indole-3-carboxylic acid ethyl ester
  • 6-bromo-5-hydroxy-4-methylaminomethyl-1-methyl-2-benzenesulfenylmethylindole-3-ethyl carboxylate
  • chemdiv1_000732
  • ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
  • oprea1_384852
  • oprea1_482224
CAS Number(s)
  • 5674-91-9
InChIKey KCFYEAOKVJSACF-UHFFFAOYSA-N
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Elements C H O N S Br