(S)-(-)-Blebbistatin

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Properties Simple | Detailed

Formula C18H17N2O2
IUPAC Name (3as)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4a-id-4-one
Molecular Mass 293.340 g·mol−1
Heat of Formation -30.6 ± 16.7 kJ·mol−1
Dipole Moment 0.73 ± 1.08 D
Volume 340.64 Å 3
Surface Area 304.8 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-blebbistatin
  • (-)-1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-b]-7-methylquinolin-4-one
  • (3as)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
  • (s)-blebbistatin, (3as)-3a-hydroxy-6-methyl-1-phenyl-3,3a-dihydro-1h-pyrrolo[2,3-b]quinolin-4(2h)-one
  • bit
InChIKey LZAXPYOBKSJSEX-GOSISDBHSA-N
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