20-Methyl-14-Thia-1,5,7,10,12,20-Hexaazatetracyclo[16.3.1.0~5,9~.0~8,13~]Docosa-6,8,10,12,18(22)-Pentaene-19,21-Dione

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Formula C16H18N6O2S
IUPAC Name 20-methyl-14-thia-1,5,7,10,12,20-hexaazatetracyclo[16.3.1.0 5,9 .0 8,13 ]docosa-6,8,10,12,18(22)-pentaene-19,21-dione
Molecular Mass 358.418 g·mol−1
Heat of Formation -61.2 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 397.73 Å 3
Surface Area 300.43 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-pyrimidino-6,9-purinophane
  • pmpp
CAS Number(s)
  • 103022-52-2
InChIKey SJWPTBFNZAZFSH-UHFFFAOYSA-N
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