(2S,3R,4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-4-Methyl-7-Oxo-3-{[1-(1,3-Thiazol-2-Yl)-3-Azetidinyl]Sulfanyl}-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C16H21N3O4S2 |
IUPAC Name | (2s,3r,4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-(1-thiazol-2-ylazetidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Molecular Mass | 383.486 g·mol−1 |
Heat of Formation | -395.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.38 ± 1.08 D |
Volume | 439.93 Å 3 |
Surface Area | 373.16 Å 2 |
HOMO Energy | -8.91 ± 0.55 eV |
LUMO Energy | 2.25 ± eV |
Point Group Symmetry | C1 |
InChIKey | YKLAKHLDAXNBOF-IOJHDDLYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |