Title: | BTM-Ac-OAc |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/8770 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Funes-Ardoiz, Ignacio |
Formula: | C 21 H 22 N 2 O 3 S 1 |
Calculation type: | Single point Structure |
Method(s): | RM062X |
Charge / Multiplicity: | 0 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | Chloroform |
Eps= 4.711300 | |
Eps(inf)= 2.090627 |