S-[(2,5,6-Trimethyl-1,7-Dioxo-1H,7H-Pyrazolo[1,2-A]Pyrazol-3-Yl)Methyl]-L-Cysteine
Properties
Property | Value |
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Formula | C13H17N3O4S |
IUPAC Name | (2r)-2-amino-3-[(1,2,6-trimethyl-3,5-dioxo-pyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanoic acid |
Molecular Mass | 311.357 g·mol−1 |
Heat of Formation | -480.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.25 ± 1.08 D |
Volume | 355.83 Å 3 |
Surface Area | 305.2 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | 2.01 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | NMURTHXSOSFFBJ-VIFPVBQESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |