(5Z)-7-[(1R,2R,3S,5S)-2-{[(5-Hydroxy-1-Benzothiophen-3-Yl)Carbonyl]Amino}-6,6-Dimethylbicyclo[3.1.1]Hept-3-Yl]-5-Heptenoic Acid
Properties
Property | Value |
---|---|
Formula | C25H31NO4S |
IUPAC Name | (z)-7-[(1r,2r,3s,5s)-2-[(5-hydroxybenzothiophene-3-carbonyl)amino]-6,6-dimethyl-norpinan-3-yl]hept-5-enoic acid |
Molecular Mass | 441.583 g·mol−1 |
Heat of Formation | -645.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.64 ± 1.08 D |
Volume | 537.77 Å 3 |
Surface Area | 397.53 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | -1.10 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | ZXBHFWFKSIYJEK-MFJOXFORSA-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 |