2-(3-Sulfanylpropanoyl)-1,2,3,4-Tetrahydro-1-Isoquinolinecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C13H15NO3S |
IUPAC Name | (1s)-2-(3-sulfanylpropanoyl)-3,4-dihydro-1h-isoquinoline-1-carboxylic acid |
Molecular Mass | 265.328 g·mol−1 |
Heat of Formation | -471.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.03 ± 1.08 D |
Volume | 307.26 Å 3 |
Surface Area | 277.09 Å 2 |
HOMO Energy | -9.00 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | ARBBMPDGVLNWHA-GFCCVEGCSA-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 |