Geometry & MOs

Info

ID:	181415
PubChem CID:	76745574
Reduced:	SO4C23H37 (1)
Stoich.:	AB4C23D37 (1)
Weight, g/mol:	410.249081
ΔH_f, kcal/mol:	-125.43
Dipole, Da:	3.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764727
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-methoxydocosa-7,10,13,16,19-pentaene-5-sulfinic acid

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCC(C(CCCOC)O)S(=O)[O-]

DOS

IR

Vibrations