(4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-4-Methyl-7-Oxo-3-({(3S,5S)-5-[(Sulfamoylamino)Methyl]-3-Pyrrolidinyl}Sulfanyl)(2-~14~C)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C15H24N4O6S2 |
IUPAC Name | (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
Molecular Mass | 422.497 g·mol−1 |
Heat of Formation | -896.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.77 ± 1.08 D |
Volume | 472.1 Å 3 |
Surface Area | 386.6 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | -1.18 ± eV |
Point Group Symmetry | C1 |
InChIKey | AVAACINZEOAHHE-YZCBYFCHSA-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 |