Charge & Multiplicity Helper
Heuristic suggestions based on electron count parity.
Structure
Supported: PDB, SDF, MOL2, MOL (also XYZ/CIF if available).
Element counts
No structure loaded.
Atom list
Manual formula input
Charge: 0
Adjust charge to see parity changes.
Suggested multiplicities
Total electrons (with charge): 0 (even)
Even electron count → closed-shell singlet is common.
Multiplicity 1 — typical
Multiplicity 3 — possible
Heuristic guidance only. Always validate with chemistry intuition.