1-({(E)-[1-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2S,3S)-2-(Fluoromethyl)-4-Oxo-1-(2H-Tetrazol-5-Yl)-3-Azetidinyl]Amino}-2-Oxoethylidene]Amino}Oxy)Cyclobutanecarboxylic Acid

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Properties Simple | Detailed

Formula C15H16FN9O5S
IUPAC Name 1-[(z)-[1-(2-aminothiazol-4-yl)-2-[[(2s,3r)-2-(fluoromethyl)-4-oxo-1-(2h-tetrazol-5-yl)azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxycyclobutanecarboxylic acid
Molecular Mass 453.408 g·mol−1
Heat of Formation -205.2 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 483.23 Å 3
Surface Area 420.09 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey NKFCKCUQAPRRBR-ZEPBNADHSA-N
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