(7S)-6-Formyl-7-(1-Methyl-1H-1,2,3-Triazol-4-Yl)-4,7-Dihydro-1,4-Thiazepine-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C10H10N4O3S |
IUPAC Name | (7s)-6-formyl-7-(1-methyltriazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid |
Molecular Mass | 266.276 g·mol−1 |
Heat of Formation | -74.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.03 ± 1.08 D |
Volume | 285.31 Å 3 |
Surface Area | 262.18 Å 2 |
HOMO Energy | -8.25 ± 0.55 eV |
LUMO Energy | -0.93 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | BCPHJDLBOJMWOD-VIFPVBQESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |