N-Blah-2-(6-Hydroxy-1,3-Benzothiazol-2-Yl)Thiazol-1-Ium-4-Ylium-4-Carboxamide
Properties
Property | Value |
---|---|
Formula | C21H20N8O8S3 |
IUPAC Name | n-blah-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazol-1-ium-4-ylium-4-carboxamide |
Molecular Mass | 608.627 g·mol−1 |
Heat of Formation | -750.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.30 ± 1.08 D |
Volume | 609.81 Å 3 |
Surface Area | 500.26 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | -1.78 ± eV |
Point Group Symmetry | C1 |
InChIKey | PZSNXFRVAZHXPC-SOONXTGKSA-O |
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Elements | H C S O N |