(5S,5As,7R,8R,8Ar)-7-(5,6-Dichlorobenzimidazol-3-Ium-7A-Id-1-Yl)-5A,7,8,8A-Tetrahydro-5H-Furo[3,2-E][1,4,2,3]Dioxathiaphosphepine-5,8-Diol

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Formula C12H12Cl2N2O5PS
IUPAC Name (5s,5as,7r,8r,8ar)-7-(5,6-dichlorobenzimidazol-3-ium-7a-id-1-yl)-5a,7,8,8a-tetrahydro-5h-furo[3,2-e][1,4,2,3]dioxathiaphosphepine-5,8-diol
Molecular Mass 398.179 g·mol−1
Heat of Formation -675.0 ± 16.7 kJ·mol−1
Dipole Moment 8.46 ± 1.08 D
Volume 389.66 Å 3
Surface Area 328.2 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -2.87 ± eV
Point Group Symmetry C1
InChIKey NCXQEYBSXYJLGP-NVCHMXSBSA-N
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