{(3S)-1-[5-(Cyclohexylcarbamoyl)-6-(Propylsulfanyl)-2-Pyridinyl]-3-Piperidinyl}Acetic Acid
Properties
Property | Value |
---|---|
Formula | C22H33N3O3S |
IUPAC Name | 2-[(3s)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-3-piperidyl]acetic acid |
Molecular Mass | 419.581 g·mol−1 |
Heat of Formation | -638.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.38 ± 1.08 D |
Volume | 521.37 Å 3 |
Surface Area | 439.27 Å 2 |
HOMO Energy | -8.40 ± 0.55 eV |
LUMO Energy | -0.28 ± eV |
Point Group Symmetry | C1 |
InChIKey | NCDZABJPWMBMIQ-INIZCTEOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |