Geometry & MOs

Info

ID:	229190
PubChem CID:	87567150
Reduced:	BrPF2O5C12H14 (1)
Stoich.:	ABC2D5E12F14 (1)
Weight, g/mol:	648.24121
ΔH_f, kcal/mol:	-339.14
Dipole, Da:	3.53
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yloxy-[difluoro-[4-[3-[3-(4-methoxyphenoxy)propylamino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl]methyl]phosphinic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=CC2=C(C=C1Br)OCO2)(F)F)O

DOS

IR

Vibrations