Structure for bis-(2-Diethylaminoethyl) trisulfide
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IR frequencies derived from structure calulation
IR frequencies derived from the computation which produced the structure
are shown in the plot below. These data are not adjusted for any expected
biases in the computational method.
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Additional information about this structure
| Owner: |
Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
|
| Computation date: |
2014-08-04
|
| Contributor(s): |
Sejal Aggarwal
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision D.01
|
| Electronic energy: |
-1778.20138827 hartree
|
| Dipole moment: |
1.4662 debye
|
| Rotational constants: |
0.56756 GHz
0.10984 GHz
0.10119 GHz
|