Geometry & MOs

Info

ID:	81182
PubChem CID:	49854439
Reduced:	MgSO2F3N3H14C16 (1)
Stoich.:	ABC2D3E3F14G16 (1)
Weight, g/mol:	393.060924
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	6.88
IP(EA), eV:	-5.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

magnesium;2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1C[S@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F.[Mg+2]

DOS

IR

Vibrations