(7-{[2-(2-{[(3-Chlorophenyl)Carbamoyl]Amino}-1,3-Thiazol-5-Yl)Ethyl]Amino}-1H-Pyrazolo[4,3-D]Pyrimidin-1-Yl)Acetic Acid

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Formula C19H17ClN8O3S
IUPAC Name 2-[7-[2-[2-[(3-chlorophenyl)carbamoylamino]thiazol-5-yl]ethylamino]pyrazolo[4,3-d]pyrimidin-1-ium-2-id-1-yl]acetic acid
Molecular Mass 472.908 g·mol−1
Heat of Formation 53.7 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 506.61 Å 3
Surface Area 456.26 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
InChIKey WRGKHKVUWQKICT-UHFFFAOYSA-N
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