Geometry & MOs

Info

ID:	215298
PubChem CID:	85084501
Reduced:	PN2O5C49H71 (1)
Stoich.:	AB2C5D49E71 (1)
Weight, g/mol:	799.517885
ΔH_f, kcal/mol:	-234.06
Dipole, Da:	11.93
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-[3-(16-phenylhexadecoxy)-2-(tritylamino)propoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOP(=O)([O-])OCC(COCCCCCCCCCCCCCCCCC1=CC=CC=C1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations