1-(2-Isopropoxyethyl)-2-Thioxo-Pyrrolo[3,2-D]Pyrimidine-1,5-Diium-4-One

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Formula C11H19N3O2S++
IUPAC Name 1-(2-isopropoxyethyl)-2-thioxo-pyrrolo[3,2-d]pyrimidine-1,5-diium-4-one
Molecular Mass 257.353 g·mol−1
Heat of Formation -216.4 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 297.71 Å 3
Surface Area 257.02 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
InChIKey BIYZHNSCPAGBRC-UHFFFAOYSA-P
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