(7R)-7-(5,6-Dihydro-8H-Imidazo[2,1-C][1,4]Oxazin-2-Yl)-6-Formyl-2,7-Dihydro-1,4-Thiazepine-3-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C13H13N3O4S
IUPAC Name (7r)-7-(6,8-dihydro-5h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro-1,4-thiazepine-3-carboxylic acid
Molecular Mass 307.325 g·mol−1
Heat of Formation -323.3 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 335.14 Å 3
Surface Area 281.21 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (7r)-7-(6,8-dihydro-5h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-methanoyl-2,7-dihydro-1,4-thiazepine-3-carboxylic acid
  • 7-(5,6-dihydro-8h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid
InChIKey CTKODGPKPNVQNS-GFCCVEGCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N