(4-Nitrophenyl) 5-[(3As,4S,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-4-Yl]Pentanoate

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Formula C16H19N3O5S
IUPAC Name (4-nitrophenyl) 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Molecular Mass 365.404 g·mol−1
Heat of Formation -493.1 ± 16.7 kJ·mol−1
Dipole Moment 9.43 ± 1.08 D
Volume 410.96 Å 3
Surface Area 339.7 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey CDJIABNSHBGBBX-YDHLFZDLSA-N
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