(6R,7R)-7-{[(2S)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino}-8-Oxo-3-[(2H-1,2,3-Triazol-4-Ylsulfanyl)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H18N6O5S2
IUPAC Name (6r,7s)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2h-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 462.503 g·mol−1
Heat of Formation -301.3 ± 16.7 kJ·mol−1
Dipole Moment 0.52 ± 1.08 D
Volume 499.75 Å 3
Surface Area 399.73 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey UOCJDOLVGGIYIQ-IIYDPXPESA-N
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