Structure for O-(2-Chloro-1,1-difluoroethyl)ethanechlorothionophosphonate
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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: |
2012-07-25
|
| Contributor(s): |
Katherine Hafner
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-2091.49100842 hartree
|
| Dipole moment: |
0.6661 debye
|
| Rotational constants: |
0.5671036 GHz
0.4499971 GHz
0.2911872 GHz
|