(3R,6S)-5-Oxo-6-(Sulfanylmethyl)-1-Thia-4-Azacyclotridecane-3-Carboxylic Acid
Properties
Property | Value |
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Formula | C13H23NO3S2 |
IUPAC Name | (3r,6s)-5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid |
Molecular Mass | 305.457 g·mol−1 |
Heat of Formation | -691.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.06 ± 1.08 D |
Volume | 375.87 Å 3 |
Surface Area | 299.64 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | -0.18 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | IEXLNMCXTFFDIL-MNOVXSKESA-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 |