(3-Aminopropyl){[5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}Methylsulfonium

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Properties Simple | Detailed

Formula C14H23N6O3S+
IUPAC Name (e)-[5-cyano-3-[1-[2-[2-cyanoethynyl(methylene)-λ4-sulfanyl]ethynoxy]-2-oxo-vinyl]-2h-imidazol-4-ylidene]cyanamide; formaldehyde
Molecular Mass 355.436 g·mol−1
Heat of Formation 1541.4 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 374.32 Å 3
Surface Area 334.06 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -3.21 ± eV
Point Group Symmetry C1
InChIKey ZUNBITIXDCPNSD-YHKGNIKMSA-O
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