(3S)-3-[(1S,2S,4S)-Bicyclo[2.2.1]Hept-5-En-2-Yl]-6-Chloro-3,4-Dihydro-2H-1,2,4-Benzothiadiazine-7-Sulfonamide 1,1-Dioxide

Molecule SVG Image

Properties Simple | Detailed

Formula C14H16ClN3O4S2
IUPAC Name (3s)-3-[(1s,2s,4s)-2-bicyclo[2.2.1]hept-5-enyl]-6-chloro-1,1-dioxo-3,4-dihydro-2h-1λ6,2,4-benzothiadiazine-7-sulfonamide
Molecular Mass 389.878 g·mol−1
Heat of Formation -447.0 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 391.81 Å 3
Surface Area 330.85 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[(1s,4s,6s)-6-bicyclo[2.2.1]hept-2-enyl]-6-chloro-1,1-diketo-3,4-dihydro-2h-benzo[e][1,2,4]thiadiazine-7-sulfonamide
  • (3s)-3-[(1s,4s,6s)-6-bicyclo[2.2.1]hept-2-enyl]-6-chloro-1,1-dioxo-3,4-dihydro-2h-benzo[e][1,2,4]thiadiazine-7-sulfonamide
  • 3-bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4- dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1 dioxide
InChIKey BOCUKUHCLICSIY-KSCJFIISSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S