Geometry & MOs

Info

ID:	43801
PubChem CID:	10321809
Reduced:	NSMg2O6C20H25 (1)
Stoich.:	ABC2D6E20F25 (1)
Weight, g/mol:	455.95747
ΔH_f, kcal/mol:	-158.12
Dipole, Da:	4.26
IP(EA), eV:	-7.33(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-phenyliodanium;hexafluorophosphate

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)NCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O.[Mg+2].[Mg+2]

DOS

IR

Vibrations