(S)-N-(5,6,7,9-Tetrahydro-1,2,3-Trimethoxy-9-Oxobenzo(A)Heptalen-7-Yl)Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C21H23NO5
IUPAC Name n-[(7s)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide
Molecular Mass 369.411 g·mol−1
Heat of Formation -573.7 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 441.71 Å 3
Surface Area 348.25 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(7s)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
  • n-[(7s)-9-keto-1,2,3-trimethoxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
InChIKey NXPCQFIROMOQEV-KRWDZBQOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N