Geometry & MOs

Info

ID:	384984
PubChem CID:	134978086
Reduced:	PSF3O7C20H24 (1)
Stoich.:	ABC3D7E20F24 (1)
Weight, g/mol:	369.09638
ΔH_f, kcal/mol:	-461.76
Dipole, Da:	3.41
IP(EA), eV:	-9.15(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[diethoxyphosphoryl-(4-fluoroanilino)methyl]benzenethiol

Drug info:

PubChemData

Smile

CCCCP(=O)(OCC)OCC1=CC(=CC=C1)OC2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations