{[3-(4-Methoxyphenyl)-4-Oxo-3,4,5,6,7,8-Hexahydro[1]Benzothieno[2,3-D]Pyrimidin-2-Yl]Sulfanyl}Acetonitrile
Properties
Property | Value |
---|---|
Formula | C19H17N3O2S2 |
IUPAC Name | 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile |
Molecular Mass | 383.487 g·mol−1 |
Heat of Formation | 27.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.31 ± 1.08 D |
Volume | 427.41 Å 3 |
Surface Area | 378.08 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | -1.12 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | VGONMECBFMCKBS-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 |