(4-Cyclohexyl-1-Piperazinyl){4-[(S)-(4-Methoxyphenyl)Sulfinyl]Phenyl}Acetonitrile
Properties
Property | Value |
---|---|
Formula | C25H31N3O2S |
IUPAC Name | (2r)-2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile |
Molecular Mass | 437.598 g·mol−1 |
Heat of Formation | 44.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.32 ± 1.08 D |
Volume | 534.58 Å 3 |
Surface Area | 455.5 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | -0.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | BFELQLHLUNQIHL-OOWIMERYSA-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 |