Ethyl [4-({[(2S,4R)-2-(1H-Imidazol-1-Ylmethyl)-2-(4-Methoxyphenyl)-1,3-Dioxolan-4-Yl]Methyl}Sulfanyl)Phenyl]Carbamate
Properties
Property | Value |
---|---|
Formula | C24H27N3O5S |
IUPAC Name | ethyl n-[4-[[(2s,4r)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate |
Molecular Mass | 469.553 g·mol−1 |
Heat of Formation | -552.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.10 ± 1.08 D |
Volume | 548.61 Å 3 |
Surface Area | 470.07 Å 2 |
HOMO Energy | -8.33 ± 0.55 eV |
LUMO Energy | -0.39 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | KLEPCGBEXOCIGS-ZJSXRUAMSA-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 |