Ethyl [(2Z)-2-(Carbamimidoylimino)-6-Hydroxy-1,3-Benzothiazol-3(2H)-Yl]Acetate

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Properties Simple | Detailed

Formula C12H14N4O3S
IUPAC Name ethyl 2-[(2z)-2-carbamimidoylimino-6-hydroxy-1,3-benzothiazol-3-yl]acetate
Molecular Mass 294.330 g·mol−1
Heat of Formation -310.7 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 321.37 Å 3
Surface Area 299.11 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
InChIKey QHEKEKSMRXTAKP-QINSGFPZSA-N
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