N-{3-[3-(1-Pyrrolidinylmethyl)Phenoxy]Propyl}-1,2-Benzothiazol-3-Amine 1,1-Dioxide
Properties
Property | Value |
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Formula | C21H25N3O3S |
IUPAC Name | 1,1-dioxo-n-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine |
Molecular Mass | 399.507 g·mol−1 |
Heat of Formation | -221.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.63 ± 1.08 D |
Volume | 476.54 Å 3 |
Surface Area | 349.69 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | -0.84 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | IRUOSFAILQOBDE-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |