11-(4-(2-(2-Hydroxyethoxy)Ethyl)-1-Piperazinyl)Dibenzo(B,F)(1,4)Thiazepin-7-Ol
Properties
Property | Value |
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Formula | C21H25N3O3S |
IUPAC Name | 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol |
Molecular Mass | 399.507 g·mol−1 |
Heat of Formation | -202.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.77 ± 1.08 D |
Volume | 470.1 Å 3 |
Surface Area | 410.94 Å 2 |
HOMO Energy | -8.29 ± 0.55 eV |
LUMO Energy | -0.72 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | VEGVCHRFYPFJFO-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 |