Geometry & MOs

Info

ID:	125356
PubChem CID:	50920639
Reduced:	NOSSnH18C19 (1)
Stoich.:	ABCDE18F19 (1)
Weight, g/mol:	598.11902
ΔH_f, kcal/mol:	98.5
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788023
Charge, e:	0

Chem-info

IUPAC name:

mercury(2+);2-piperidin-1-id-2-ylpiperidin-1-ide;2,2,2-trifluoroacetic acid;2,2,2-trifluoroethane-1,1-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.C(#N)[S-].[OH3+]

DOS

IR

Vibrations