(4S,4A'R,10A'R)-7'-(5-Chloro-3-Pyridinyl)-3',4',4A',10A'-Tetrahydro-1'H-Spiro[1,3-Oxazole-4,5'-Pyrano[3,4-B]Chromen]-2-Amine
Properties
Property | Value |
---|---|
Formula | C19H18ClN3O3 |
IUPAC Name | (5s)-7-(5-chloro-3-pyridyl)spiro[3,4,4a,10a-tetrahydro-1h-pyrano[3,4-b]chromene-5,4'-5h-oxazole]-2'-amine |
Molecular Mass | 371.818 g·mol−1 |
Heat of Formation | -216.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.25 ± 1.08 D |
Volume | 406.81 Å 3 |
Surface Area | 352.23 Å 2 |
HOMO Energy | -8.86 ± 0.55 eV |
LUMO Energy | -0.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | BGRWOLNAPSRJIS-LJHODMEESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |