(3R)-N-(1,3-Benzodioxol-5-Ylmethyl)-1,2,3,4-Tetrahydro[1]Benzothieno[2,3-C]Pyridine-3-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H18N2O3S
IUPAC Name (3r)-n-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydrobenzothiopheno[2,3-c]pyridine-3-carboxamide
Molecular Mass 366.434 g·mol−1
Heat of Formation -148.7 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 414.46 Å 3
Surface Area 365.29 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-n-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-d]pyridine-3-carboxamide
  • (3r)-n-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydrobenzothiopheno[3,2-d]pyridine-3-carboxamide
InChIKey LJJLQEVGMKLKNY-OAHLLOKOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N