Geometry & MOs

Info

ID:	218859
PubChem CID:	85090075
Reduced:	N2O8C27H38 (1)
Stoich.:	A2B8C27D38 (1)
Weight, g/mol:	518.259599
ΔH_f, kcal/mol:	-363.66
Dipole, Da:	9.02
IP(EA), eV:	-9.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)C)C)OC(=O)CC(C)C

DOS

IR

Vibrations