(2S)-2-[[4-[(2-Amino-6-Methyl-4-Oxo-3,7-Dihydropyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-5-Yl)Sulfanyl]-2-Chloro-Benzoyl]Amino]Pentanedioic Acid

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Properties Simple | Detailed

Formula C19H19ClN5O6S
IUPAC Name (2s)-2-[[4-[(2-amino-6-methyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-5-yl)sulfanyl]-2-chloro-benzoyl]amino]pentanedioic acid
Molecular Mass 480.902 g·mol−1
Heat of Formation -938.2 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 514.36 Å 3
Surface Area 442.49 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey GZXNZYZBILPAEL-JNDJBJQJSA-P
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