| Formula |
C7H11NO3S2 |
| IUPAC Name |
(4r)-7,7-dimethyl-6-oxo-1,2,5-dithiazepane-4-carboxylic acid |
| Molecular Mass |
221.297 g·mol−1 |
| Heat of Formation |
-564.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.87 ± 1.08 D |
| Volume |
238.46 Å 3 |
| Surface Area |
215.05 Å 2 |
| HOMO Energy |
-8.99 ± 0.55 eV |
| LUMO Energy |
-1.25 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (4r)-6-keto-7,7-dimethyl-1,2,5-dithiazepane-4-carboxylic acid
- (4r)-7,7-dimethyl-6-oxo-1,2,5-dithiazepane-4-carboxylic acid
|
| InChIKey |
AXMCBAWKHOPUEZ-BYPYZUCNSA-N |
| QR Code |
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| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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