Geometry & MOs

Info

ID:	229374
PubChem CID:	87567497
Reduced:	PF2O5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	336.093817
ΔH_f, kcal/mol:	-377.9
Dipole, Da:	3.61
IP(EA), eV:	-10.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)C(C)C(=O)O)(F)F)OCC

DOS

IR

Vibrations