(4R,5S)-6-(1-Hydroxyethyl)-4-Methyl-3-{[(3S,5S)-5-{(1E)-3-[(Methylsulfonyl)Amino]-1-Propen-1-Yl}-3-Pyrrolidinyl]Sulfanyl}-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H27N3O6S2 |
| IUPAC Name | (4r,5s,6s)-6-[(1s)-1-hydroxyethyl]-3-[(3s,5s)-5-[(e)-3-(methanesulfonamido)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| Molecular Mass | 445.553 g·mol−1 |
| Heat of Formation | -857.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.00 ± 1.08 D |
| Volume | 512.64 Å 3 |
| Surface Area | 440.47 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | -0.86 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UXCCOLVNQUBDAJ-KYCKHRBNSA-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 |