O-2050

Molecule SVG Image

Properties Simple | Detailed

Formula C23H31NO4S
IUPAC Name n-[6-[(6ar,10ar)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]hex-4-ynyl]methanesulfonamide
Molecular Mass 417.562 g·mol−1
Heat of Formation -552.5 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 531.55 Å 3
Surface Area 412.4 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • n-[6-[(6ar,10ar)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]hex-4-ynyl]methanesulfonamide
InChIKey DJTGGIYZQHHLGJ-RTBURBONSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N