2-({(2R,3R,6S,8S,9R,11R)-3,9,11-Trimethyl-8-[(2S)-1-Oxo-1-(1H-Pyrrol-2-Yl)-2-Propanyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}Methyl)-1,3-Benzoxazole-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C28H34N2O6 |
IUPAC Name | [3-[2-[7-[4-(dioxiran-3-yl)-5-methylene-oxazol-3-ium-2-yl]-1,5-dimethylene-2-oxo-hepta-3,6-diynyl]cyclopropene-1-carbonyl]-1-ethynyl-2-oxo-but-3-enyl]-methylidyne-ammonium |
Molecular Mass | 494.579 g·mol−1 |
Heat of Formation | -961.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.85 ± 1.08 D |
Volume | 599.16 Å 3 |
Surface Area | 429.91 Å 2 |
HOMO Energy | -8.87 ± 0.55 eV |
LUMO Energy | -0.60 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | SFAOBXUZYBPOKX-RGOXXJNASA-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 |