3-[[(6R,7S)-7-Methoxy-5,5,8-Trioxo-2-(Pyrrolidine-1-Carbonyl)-5Λ6-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methylsulfanyl]-2-Methyl-1,2,4-Triazine-1,2-Diium-5,6-Dione
Properties
Property | Value |
---|---|
Formula | C17H23N5O7S2++ |
IUPAC Name | 3-[[(6r,7s)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1,4-dihydro-1,2,4-triazine-1,2-diium-5,6-dione |
Molecular Mass | 473.524 g·mol−1 |
Heat of Formation | -740.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.00 ± 1.08 D |
Volume | 502.02 Å 3 |
Surface Area | 389.47 Å 2 |
HOMO Energy | -9.20 ± 0.55 eV |
LUMO Energy | 1.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | KAWLXQWYBDJWFQ-MEDUHNTESA-N |
QR Code | Generate QR Code |
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Elements | H S C O N |