(1'S,2S,9R,9As,12'S)-2-Methyl-1,9A-Dihydro-3'H,15'H-Spiro[Imidazo[1,2-A]Indole-9,13'-[2,10,16]Triazatetracyclo[10.2.2.0~2,11~.0~4,9~]Hexadeca[4,6,8,10]Tetraene]-3,3',15'(2H)-Trione

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Formula C23H20N5O3
IUPAC Name (1's,2s,9r,9as,12's)-2-methyl-1,9a-dihydro-3'h,15'h-spiro[imidazo[1,2-a]indole-9,13'-[2,10,16]triazatetracyclo[10.2.2.0 2,11 .0 4,9 ]hexadeca[4,6,8,10]tetraene]-3,3',15'(2h)-trione
Molecular Mass 414.437 g·mol−1
Heat of Formation -106.0 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 455.41 Å 3
Surface Area 370.23 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • lapatin a
InChIKey WBCINSMUFGLFNX-PBSSQXKISA-N
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