6-Ethyl-4-Methoxy-2-(3-Pyridinylsulfanyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbaldehyde

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Formula C15H14N4O2S
IUPAC Name 6-ethyl-4-methoxy-2-(3-pyridylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-ium-5-carbaldehyde
Molecular Mass 314.362 g·mol−1
Heat of Formation 43.8 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 360.78 Å 3
Surface Area 315.09 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey LEMXQPJEGCAOFY-UHFFFAOYSA-N
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