(3S)-3-(2-Amino-4-Oxo-1H-Pyrrolo[3,2-D]Pyrimidine-3,5-Diium-4A-Ylium-7-Yl)-3-(3-Chlorophenyl)Propanoic Acid

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Properties Simple | Detailed

Formula C15H13ClN4O3
IUPAC Name (3s)-3-(2-amino-4-oxo-1h-pyrrolo[3,2-d]pyrimidine-3,5-diium-4a-ylium-7-yl)-3-(3-chlorophenyl)propanoic acid
Molecular Mass 332.742 g·mol−1
Heat of Formation -329.7 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 358.07 Å 3
Surface Area 316.72 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey JSQWCKFVTFLQNI-SVLXGBFWSA-O
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Elements H C N O Cl