5-[(3As,4S,5S,6Ar)-5-Oxido-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoic Acid

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Formula C10H16N2O4S
IUPAC Name 5-[(3as,4s,5s,6ar)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Mass 260.310 g·mol−1
Heat of Formation -726.7 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 296.6 Å 3
Surface Area 271.13 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3ar,5s,6s,6as)-2,5-diketo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]valeric acid
  • 5-[(3ar,5s,6s,6as)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid
InChIKey KCSKCIQYNAOBNQ-OKPRWBIXSA-N
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