4-Amino-18,20-Dimethyl-7-Thia-3,5,11,15-Tetraazatricyclo[15.3.1.1~2,6~]Docosa-1(21),2(22),3,5,17,19-Hexaene-10,16-Dione

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Formula C19H23N5O2S
IUPAC Name 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1 2,6 ]docosa-1(21),2(22),3,5,17,19-hexaene-10,16-dione
Molecular Mass 385.483 g·mol−1
Heat of Formation -184.6 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 446.42 Å 3
Surface Area 376.84 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey OMFBVBRFVYLRQT-UHFFFAOYSA-N
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