(2E)-5-(2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl)-2-Pentenoic Acid
Properties
Property | Value |
---|---|
Formula | C10H14N2O3S |
IUPAC Name | (e)-5-[(3ar,4s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pent-2-enoic acid |
Molecular Mass | 242.295 g·mol−1 |
Heat of Formation | -501.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.69 ± 1.08 D |
Volume | 278.54 Å 3 |
Surface Area | 263.09 Å 2 |
HOMO Energy | -9.16 ± 0.55 eV |
LUMO Energy | -0.63 ± eV |
Point Group Symmetry | C1 |
InChIKey | NZERRTYPTPRCIR-IVXSBKHASA-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 |