| Formula |
C21H25ClN2O4S |
| IUPAC Name |
7-[[(11r)-3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][1,2]benzothiazepin-11-yl]ammonio]heptanoate |
| Molecular Mass |
436.952 g·mol−1 |
| Heat of Formation |
-583.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.86 ± 1.08 D |
| Volume |
502.47 Å 3 |
| Surface Area |
419.81 Å 2 |
| HOMO Energy |
-8.57 ± 0.55 eV |
| LUMO Energy |
-0.89 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
JICJBGPOMZQUBB-OAQYLSRUSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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