Geometry & MOs

Info

ID:	231336
PubChem CID:	87573495
Reduced:	PSO3C21H47 (1)
Stoich.:	ABC3D21E47 (1)
Weight, g/mol:	349.94513
ΔH_f, kcal/mol:	-187.51
Dipole, Da:	21.54
IP(EA), eV:	-8.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(2-fluoro-5-iodobenzoyl)-3-methoxyprop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)C(CCCC)(CCCC)[PH3+].CS(=O)(=O)[O-]

DOS

IR

Vibrations