Geometry & MOs

Info

ID:

181768

PubChem CID:

76791049

Reduced:

NaPN2O10C40H73 (2)

Stoich.:

ABC2D10E40F73 (2)

Weight, g/mol:

1453.010738

ΔHf, kcal/mol:

-1279.8

Dipole, Da:

68.15

IP(EA), eV:

 -8.34(-3.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[2-[[3-[2-[[3-(3-acetyloxydecoxy)-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-3-oxopropanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl dodecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)CC(=O)NC(COCCC(CCCCCCC)OC(=O)CCCC=CC)COP(=O)([O-])OCCNC(=O)CC(=O)NCCOP(=O)([O-])OCC(COCCC(CCCCCCC)OC(=O)CCCC=CCCCCCC)NC(=O)CC(=O)CCCCCCCCCCC.[Na+].[Na+]

DOS

IR

Vibrations