(2R,5S)-5-[(Carbamoyloxy)Methyl]-2-[(R)-Carboxy{[(2Z)-2-(2-Furyl)-2-(Methoxyimino)Acetyl]Amino}Methyl]-5,6-Dihydro-2H-1,3-Thiazine-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C16H18N4O9S |
IUPAC Name | (2r,5s)-5-(carbamoyloxymethyl)-2-[(r)-carboxy-[[(2z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]methyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid |
Molecular Mass | 442.401 g·mol−1 |
Heat of Formation | -1163.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.36 ± 1.08 D |
Volume | 472.3 Å 3 |
Surface Area | 376.86 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 2.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | AYUIRPIPSPPXAA-NEHUYCMOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |