(5S,5As,8Ar,9R)-9-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-5-(4-Nitroanilino)-5A,6,8A,9-Tetrahydro-5H-Isobenzofuro[5,6-F][1,3]Benzodioxol-8-One

Molecule SVG Image

Properties Simple | Detailed

Formula C27H24N2O9
IUPAC Name (5s,5as,8ar,9r)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Mass 520.487 g·mol−1
Heat of Formation -811.2 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 560.88 Å 3
Surface Area 461.72 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
InChIKey KRZSBYLFXSHGED-LVEBQJTPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N