Almokalant
Properties
Property | Value |
---|---|
Formula | C18H28N2O3S |
IUPAC Name | 4-[(2r)-3-[ethyl-[3-[(r)-propylsulfinyl]propyl]amino]-2-hydroxy-propoxy]benzonitrile |
Molecular Mass | 352.492 g·mol−1 |
Heat of Formation | -385.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.11 ± 1.08 D |
Volume | 450.79 Å 3 |
Surface Area | 346.58 Å 2 |
HOMO Energy | -8.52 ± 0.55 eV |
LUMO Energy | -0.28 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZMHOBBKJBYLXFR-MZNJEOGPSA-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 |