8-(2,4-Dimethylphenyl)Sulfanyl-3-Pent-4-Ynyl-Purine-1,7,9-Triium-6-Amine

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Properties Simple | Detailed

Formula C18H19N5S
IUPAC Name 8-(2,4-dimethylphenyl)sulfanyl-3-pent-4-ynyl-purine-1,7,9-triium-6-amine
Molecular Mass 337.442 g·mol−1
Heat of Formation 549.9 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 364.48 Å 3
Surface Area 333.53 Å 2
HOMO Energy -7.80 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey RGFHWJOYCJOLIK-UHFFFAOYSA-O
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Elements H C S N