3-((5-Chlorobenzothiazol-2-Yl)Methyl)-1,2,3,4-Tetrahydro-2,4-Dioxopyrimidine-1-Acetic Acid
Properties
Property | Value |
---|---|
Formula | C14H10ClN3O4S |
IUPAC Name | 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-pyrimidin-1-yl]acetic acid |
Molecular Mass | 351.765 g·mol−1 |
Heat of Formation | -471.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.71 ± 1.08 D |
Volume | 364.33 Å 3 |
Surface Area | 323.77 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | 1.92 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | RQWICELTTDJODO-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |