(5Z)-5-(Carbamoylimino)-3-[(5R)-6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-5-Ylsulfanyl]-2,5-Dihydro-1,2-Thiazole-4-Carboxamide
Properties
Property | Value |
---|---|
Formula | C16H18N4O2S2 |
IUPAC Name | (5z)-5-carbamoylimino-3-[[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]sulfanyl]-2h-isothiazole-4-carboxamide |
Molecular Mass | 362.470 g·mol−1 |
Heat of Formation | -187.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.52 ± 1.08 D |
Volume | 393.27 Å 3 |
Surface Area | 330.34 Å 2 |
HOMO Energy | -8.40 ± 0.55 eV |
LUMO Energy | 2.40 ± eV |
Point Group Symmetry | C1 |
InChIKey | BLCWVDAFBKECPI-PFMFLNCGSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |