2-(4-Chlorophenyl)-1,4-Dihydrothiochromeno[4,3-C]Pyrazol-3(2H)-One
Properties
Property | Value |
---|---|
Formula | C16H11ClN2OS |
IUPAC Name | 2-(4-chlorophenyl)-1,4-dihydrothiochromeno[4,3-c]pyrazol-3-one |
Molecular Mass | 314.789 g·mol−1 |
Heat of Formation | 204.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.34 ± 1.08 D |
Volume | 339.97 Å 3 |
Surface Area | 305.39 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | -1.68 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | JUINMUAIPTYUBI-UHFFFAOYSA-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 |