Geometry & MOs

Info

ID:	229176
PubChem CID:	87567119
Reduced:	NPF2O7C23H28 (1)
Stoich.:	ABC2D7E23F28 (1)
Weight, g/mol:	499.157146
ΔH_f, kcal/mol:	-436.91
Dipole, Da:	1.97
IP(EA), eV:	-9.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)(F)F)OCC

DOS

IR

Vibrations