(2-Aminooxy-Ethyl)-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Ylmethyl]-Methyl-Sulfonium

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Properties Simple | Detailed

Formula C13H6N6O4S
IUPAC Name (e)-[3-[5-[2-aminooxyethynyl(methylene)-λ4-sulfanyl]-2,3-dioxo-pent-4-ynoyl]-5-cyano-2h-imidazol-4-ylidene]cyanamide
Molecular Mass 342.290 g·mol−1
Heat of Formation 1698.9 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 362.24 Å 3
Surface Area 339.46 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -3.11 ± eV
Point Group Symmetry C1
InChIKey RMAOLICYOBWFLA-ZTXHCXIGSA-N
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