Geometry & MOs

Info

ID:	229188
PubChem CID:	87567148
Reduced:	BrPF2O5C14H16 (1)
Stoich.:	ABC2D5E14F16 (1)
Weight, g/mol:	648.24121
ΔH_f, kcal/mol:	-328.3
Dipole, Da:	7.01
IP(EA), eV:	-9.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-1-[3-(4-methoxyphenoxy)propylamino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=COC(O1)C2=CC=CC=C2Br)(F)F)OCC

DOS

IR

Vibrations