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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Elements |
H
C
S
O
N
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