Geometry & MOs

Info

ID:	232501
PubChem CID:	87576329
Reduced:	AgSO7C20H38 (1)
Stoich.:	ABC7D20E38 (1)
Weight, g/mol:	206.024895
ΔH_f, kcal/mol:	-546.03
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750155
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-3-oxo-3-prop-2-enoxyprop-1-ene-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CC(C(=O)O)C(CC(CC)CCCC)(C(=O)O)S(=O)(=O)O.[Ag]

DOS

IR

Vibrations