(4Ar,12Br)-2,3,4,4A,7,8,12B,13-Octahydro-1H-6-Thia-13A-Azabenzo[F]Naphtho[1,2,3-Cd]Azulene

Molecule SVG Image

Properties Simple | Detailed

Formula C19H21NS
IUPAC Name (4ar,12br)-2,3,4,4a,7,8,12b,13-octahydro-1h-6-thia-13a-azabenzo[f]naphtho[1,2,3-cd]azulene
Molecular Mass 295.442 g·mol−1
Heat of Formation 178.3 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 353.69 Å 3
Surface Area 301.44 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-6-thia-13a-azabenzo(f)naphth(1,2,3-cd)azulene, 2,3,4,4a,7,8,12b,13-octahydro-, trans-(+-)-
  • qm 7184
  • trans-(+-)-2,3,4,4a,7,8,12b,13-octahydro-1h-6-thia-13a-azabenzo(f)naphth(1,2,3-cd)azulene
CAS Number(s)
  • 76865-42-4
InChIKey UPLPXIWDTYNAMK-NVXWUHKLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N