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Description

Space-filling model of the sulforaphane molecule, C6H11NOS2.

Model based on structure calculated in Şakir Erkoç and Figen Erkoç (February 2005). "Theoretical investigation of sulforaphane molecule". Journal of Molecular Structure: THEOCHEM 714 (2-3): 81-85. DOI:10.1016/j.theochem.2004.08.057.

Structure calculated in Spartan '04 Student Edition using Hartree-Fock/6-31G*.

Image generated in Accelrys DS Visualizer.
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Author Ben Mills
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Public domain This work has been released into the public domain by its author, Benjah-bmm27. This applies worldwide.

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12 August 2008

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Date/TimeThumbnailDimensionsUserComment
current22:37, 30 September 2017Thumbnail for version as of 22:37, 30 September 20171,665 × 880 (393 KB)Dfcorrea00Corrected C-N=C bond angle from ~180 to ~120 & rearranged methyl & oxygen on sulfur.
14:42, 12 August 2008Thumbnail for version as of 14:42, 12 August 20081,100 × 622 (141 KB)Benjah-bmm27{{Information |Description = Space-filling model of the sulforaphane molecule, C<sub>6</sub>H<sub>11</sub>NOS<sub>2</sub>. Model based on structure calculated in {{ cite journal | journal = Journal of Molecular Structure: THEOCHEM | volume = 714 | issue

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