2,6-Bis(2-Methyl-2-Propanyl)-4-(5-Thioxo-1,3,4-Thiadiazolidin-2-Ylidene)-2,5-Cyclohexadien-1-One
Properties
Property | Value |
---|---|
Formula | C16H22N2OS2 |
IUPAC Name | 2,6-ditert-butyl-4-(5-thioxo-1,3,4-thiadiazole-3,4-diium-2-ylidene)cyclohexa-2,5-dien-1-one |
Molecular Mass | 322.489 g·mol−1 |
Heat of Formation | 57.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.15 ± 1.08 D |
Volume | 399.56 Å 3 |
Surface Area | 336.98 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | -1.39 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | ZWXYGCBYURUOON-UHFFFAOYSA-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 |