(-)-Chuangxinmycin

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Properties Simple | Detailed

Formula C12H11NO2S
IUPAC Name (5s,6r)-5-methyl-7-thia-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid
Molecular Mass 233.286 g·mol−1
Heat of Formation -217.0 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 259.75 Å 3
Surface Area 234.48 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-thiopyrano(4,3,2-cd)indole-2-carboxylic acid, 3,5-dihydro-3-methyl-, cis-(-)-
  • chuanghsinmycin
  • chuangxinmycin
  • cis-(-)-3,5-dihydro-3-methyl-2h-thiopyrano(4,3,2-cd)indole-2-carboxylic acid
CAS Number(s)
  • 63339-68-4
InChIKey DKHFLDXCKWDVMF-UPONEAKYSA-N
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