Geometry & MOs

Info

ID:	338177
PubChem CID:	127258869
Reduced:	P2Mg3H10C12O18 (1)
Stoich.:	A2B3C10D12E18 (1)
Weight, g/mol:	274.058299
ΔH_f, kcal/mol:	-798.79
Dipole, Da:	10.35
IP(EA), eV:	-9.0(-3.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[1-(4-methylsulfanylphenyl)cyclopropyl]benzene

Drug info:

PubChemData

Smile

C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)([O-])[O-])[O-])[O-])O.C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)([O-])[O-])[O-])[O-])O.[Mg+2].[Mg+2].[Mg+2]

DOS

IR

Vibrations