(7S)-1,2,3-Trimethoxy-7-(Methylamino)-10-(Methylsulfanyl)-6,7-Dihydrobenzo[A]Heptalen-9(5H)-One
Properties
Property | Value |
---|---|
Formula | C21H25NO4S |
IUPAC Name | (7s)-1,2,3-trimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5h-benzo[a]heptalen-9-one |
Molecular Mass | 387.493 g·mol−1 |
Heat of Formation | -359.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.01 ± 1.08 D |
Volume | 459.74 Å 3 |
Surface Area | 363.77 Å 2 |
HOMO Energy | -8.38 ± 0.55 eV |
LUMO Energy | -0.74 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
CAS Number(s) |
|
InChIKey | RRCKMQLZGKWNPR-HNNXBMFYSA-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 |