3-({3-[(2S)-2-Amino-2-Carboxyethyl]-5-Methyl-2,6-Dioxo-3,6-Dihydro-1(2H)-Pyrimidinyl}Methyl)-4,5-Dibromo-2-Thiophenecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C14H13Br2N3O6S |
IUPAC Name | 3-[[3-[(2s)-2-amino-2-carboxy-ethyl]-5-methyl-2,6-dioxo-pyrimidin-3-ium-5-id-1-yl]methyl]-4,5-dibromo-thiophen-1-ium-5-ylium-2-carboxylic acid |
Molecular Mass | 511.143 g·mol−1 |
Heat of Formation | -915.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.39 ± 1.08 D |
Volume | 429.15 Å 3 |
Surface Area | 351.98 Å 2 |
HOMO Energy | -9.17 ± 0.55 eV |
LUMO Energy | -1.41 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
InChIKey | VDFYFXPYXBDMBE-ZETCQYMHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N S Br |