2-(5-{[(2-Amino-4-Oxo-1,4-Dihydro[1]Benzothieno[2,3-D]Pyrimidin-5-Yl)Methyl]Amino}-1-Oxo-1,3-Dihydro-2H-Isoindol-2-Yl)Pentanedioic Acid

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Formula C24H21N5O6S+
IUPAC Name (2s)-2-[5-[(2-amino-4-oxo-benzothiopheno[2,3-d]pyrimidin-5-yl)methylamino]-1-oxo-isoindolin-2-yl]pentanedioic acid
Molecular Mass 507.518 g·mol−1
Heat of Formation -755.1 ± 16.7 kJ·mol−1
Dipole Moment 8.99 ± 1.08 D
Volume 549.38 Å 3
Surface Area 474.47 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey QPDXRVRRCIFNSL-HNNXBMFYSA-N
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