5-[(3Ar,6R,6As)-3-[(1R)-1-(6-Nitro-1,3-Benzodioxol-5-Yl)Ethoxy]Carbonyl-2-Oxo-3A,4,6,6A-Tetrahydro-1H-Thieno[3,4-D]Imidazol-6-Yl]Pentanoic Acid

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Formula C20H23N3O9S
IUPAC Name 5-[(3ar,6r,6as)-3-[(1r)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl-2-oxo-3a,4,6,6a-tetrahydro-1h-thieno[3,4-d]imidazol-6-yl]pentanoic acid
Molecular Mass 481.476 g·mol−1
Heat of Formation -1153.0 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 521.83 Å 3
Surface Area 453.52 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey SMJPEVDIWHBBQP-JTWAPGJUSA-N
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