4-Acetyl-5-Cyano-3-Thioxo-2-Morpholinecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C8H8N2O4S |
IUPAC Name | (2r,5s)-4-acetyl-5-cyano-3-thioxo-morpholine-2-carboxylic acid |
Molecular Mass | 228.225 g·mol−1 |
Heat of Formation | -456.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.54 ± 1.08 D |
Volume | 246.41 Å 3 |
Surface Area | 221.96 Å 2 |
HOMO Energy | -9.38 ± 0.55 eV |
LUMO Energy | 1.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | HJRFYKCNCXAIPA-WDSKDSINSA-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 |