Geometry & MOs

Info

ID:	84560
PubChem CID:	49867901
Reduced:	N2O6C9H14 (1)
Stoich.:	A2B6C9D14 (1)
Weight, g/mol:	550.28416
ΔH_f, kcal/mol:	-257.87
Dipole, Da:	2.71
IP(EA), eV:	-9.5(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-tetradecanoylsulfanylethylamino)propyl]amino]butoxy]-oxido-oxophosphanium

Drug info:

PubChemData

Smile

C1=CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations