[4-[(Z)-N-(1-Carboxy-1-Methyl-Ethoxy)-C-[[(2S,3S)-2-Methyl-4-Oxo-1-Sulfonato-Azetidin-3-Yl]Carbamoyl]Carbonimidoyl]-5H-Thiazol-3-Ium-5-Id-2-Yl]Ammonium

Molecule SVG Image

Properties Simple | Detailed

Formula C13H21N5O8S2
IUPAC Name [4-[(z)-n-(1-carboxy-1-methyl-ethoxy)-c-[[(2s,3s)-2-methyl-4-oxo-1-sulfonato-azetidin-3-yl]carbamoyl]carbonimidoyl]-5h-thiazol-3-ium-5-id-2-yl]ammonium
Molecular Mass 439.464 g·mol−1
Heat of Formation -722.8 ± 16.7 kJ·mol−1
Dipole Moment 33.32 ± 1.08 D
Volume 451.75 Å 3
Surface Area 371.85 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -3.15 ± eV
Point Group Symmetry C1
InChIKey UBJZGDTYCCYMBL-VEHQQRBSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N