4-[4-({(3S)-1-Butyl-3-[(R)-Cyclohexyl(Hydroxy)Methyl]-2,5-Dioxo-1,4,9-Triazaspiro[5.5]Undec-9-Yl}Methyl)Phenoxy]Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C33H43N3O6 |
IUPAC Name | 4-[4-[[(3s)-1-butyl-3-[(r)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid |
Molecular Mass | 577.711 g·mol−1 |
Heat of Formation | -1013.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.79 ± 1.08 D |
Volume | 705.21 Å 3 |
Surface Area | 575.28 Å 2 |
HOMO Energy | -9.21 ± 0.55 eV |
LUMO Energy | -0.69 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | GWNOTCOIYUNTQP-URLMMPGGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |