Reaction Viewer

For a reaction defined in a chemical database, examine its stoichiometric, structural, and benchmark information, as well as additional published computational data.

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Database

Reaction

Reaction Information

S22-18
Index 18
Description MX-3 Benzene-Ammonia Complex, CS
Class default, mx, mxdd, mxddnp, neutral, s11
Reagent S22-18-dimer S22-18-monoA-unCP S22-18-monoB-unCP
Stoichiometry 1 -1 -1
Natom 16 12 4
Charge 0 0 0
Multiplicity 1 1 1

Interactive Molecule

SAPT Decomposition
SAPT2+3(CCD) / aug-cc-pVTZ
kcal/mol
Electrostatics -1.7414
Exchange 2.7564