Geometry & MOs

Info

ID:	219416
PubChem CID:	85148633
Reduced:	BrO2C29H45 (1)
Stoich.:	AB2C29D45 (1)
Weight, g/mol:	505.239198
ΔH_f, kcal/mol:	-137.82
Dipole, Da:	3.54
IP(EA), eV:	-9.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octylsulfanylpropan-2-yl]oxy-heptylphosphinic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C(C45C3(C4CC(=O)C5(C)C)C)Br)C

DOS

IR

Vibrations