{3-[(5,7-Difluoro-1,3-Benzothiazol-2-Yl)Methyl]-5,6-Dimethyl-4-Oxo-3,4-Dihydro-1(2H)-Pyridazinyl}Acetic Acid

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Properties Simple | Detailed

Formula C16H15F2N3O3S
IUPAC Name 2-[(2s,6s)-6-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dimethyl-5-oxo-1,6-dihydropyridazin-2-yl]acetic acid
Molecular Mass 367.370 g·mol−1
Heat of Formation -607.4 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 400.87 Å 3
Surface Area 340.36 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey FGKJKXHYFUBOEW-NSHDSACASA-N
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