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Major peak assignment for eight-membered intermediate 29 (Scheme 7a) from Gaussian calculations
| |||
|---|---|---|---|
| Calculation results of intermediate 29 (Scheme 7a) | |||
| Experimental group (cm−1) | Calculated Group (cm−1) | Calculated Raman intensity | Peak assignment |
| 1725 (unresolved) | 1730 | 30 | C=O stretch from C3 acetoxy, tert-butyl ester carbonyl, Ser70 ester carbonyl |
| 1650 | 1680 | 311 | C6=C7 stretch of dihydrothiazocine ring |
| 1320 | 1353 | 50 | N5-H bending |
| 797 | 825 | 50 | -C-S-C- stretch |
