Ethyl [(2Z)-2-(Carbamimidoylimino)-6-Hydroxy-1,3-Benzothiazol-3(2H)-Yl]Acetate
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |