(3Br,9As)-4,5,9,9A,11,12-Hexahydro-3Bh-Pyrrolo[1,2-A]Thieno[3',2':3,4]Pyrido[1,2-C]Pyrimidin-7(8H)-One

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Formula C13H16N2OS
IUPAC Name (3br,9as)-4,5,9,9a,11,12-hexahydro-3bh-pyrrolo[1,2-a]thieno[3',2':3,4]pyrido[1,2-c]pyrimidin-7(8h)-one
Molecular Mass 248.344 g·mol−1
Heat of Formation -42.2 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 288.77 Å 3
Surface Area 253.74 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-pyrrolo(1,2-a)thieno(3',2':3,4)pyrido(1,2-c)pyrimidin-7(8h)-one, 3b,4,9,9a,11,12-hexahydro-, cis-(+-)-
  • 8,13-diaza-3-thia-a-norgona-1,5(10)-dien-17-one
  • 8,13-dtndo
CAS Number(s)
  • 95846-66-5
InChIKey IKPRBUPWHWVZKI-PWSUYJOCSA-N
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