(4S)-8-Chloro-4'-Methyl-4-(Methylamino)-3,4-Dihydro-1H,5'H-Spiro[Benzo[Cd]Indole-5,2'-Furan]-5'-One

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Formula C16H15ClN2O2
IUPAC Name (4s,5r)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydrobenzo[cd]indol-1-ium-5,5'-furan]-2'-one
Molecular Mass 302.756 g·mol−1
Heat of Formation -119.7 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 337.25 Å 3
Surface Area 292.5 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 8-chlororugulovasine a
  • spiro(benz(cd)indole-5(1h),2'(5'h)-furan)-5'-one, 3,4-dihydro-8-chloro-4'-methyl-4-(methylamino)-, cis-(+-)-
  • toxin b (penicillium islandicum)
CAS Number(s)
  • 59787-45-0
InChIKey SDYOUVJWVNBXPX-BLLLJJGKSA-N
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Elements H C N O Cl