7-Acetoxy-6-(P-Methoxyphenyl)Pyrrolo(2,1-D)(1,5)Benzothiazepine
Properties
Property | Value |
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Formula | C21H17NO3S |
IUPAC Name | [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate |
Molecular Mass | 363.430 g·mol−1 |
Heat of Formation | -121.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.33 ± 1.08 D |
Volume | 418.09 Å 3 |
Surface Area | 350.14 Å 2 |
HOMO Energy | -8.34 ± 0.55 eV |
LUMO Energy | -0.67 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | NCWRHYSPTPPIQP-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 |