4-({1-[(E)-(2-Cyclohexyl-2-Hydroxyethylidene)Amino]-3-Ethyl-2-Oxooctahydrocyclopenta[D]Imidazol-5-Yl}Sulfanyl)Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C20H33N3O4S |
IUPAC Name | 4-[[(3as,5r,6ar)-3-[(e)-[(2r)-2-cyclohexyl-2-hydroxy-ethylidene]amino]-1-ethyl-2-oxo-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]imidazol-5-yl]sulfanyl]butanoic acid |
Molecular Mass | 411.559 g·mol−1 |
Heat of Formation | -786.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.10 ± 1.08 D |
Volume | 505.07 Å 3 |
Surface Area | 427.17 Å 2 |
HOMO Energy | -8.67 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | YDMMNNOYPGHBEY-LZAIDPNDSA-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 |