Geometry & MOs

Info

ID:	158863
PubChem CID:	57244110
Reduced:	NPF3O6C14H16 (1)
Stoich.:	ABC3D6E14F16 (1)
Weight, g/mol:	324.157288
ΔH_f, kcal/mol:	-426.91
Dipole, Da:	6.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.062967
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-1-phenylmethoxy-1-propanoyloxypropan-2-yl) propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N=C[P+](CC(CCC(=O)O)C(=O)O)(O)O)C(F)(F)F

DOS

IR

Vibrations