Geometry & MOs

Info

ID:

48763

PubChem CID:

11528306

Reduced:

N2P2O12C91H186 (1)

Stoich.:

A2B2C12D91E186 (1)

Weight, g/mol:

1563.363754

ΔHf, kcal/mol:

-971.87

Dipole, Da:

20.79

IP(EA), eV:

 -8.99(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-3-[15-[(1S,3R)-3-[15-[(2S)-3-[hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxy-2-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]pentadecyl]cyclopentyl]pentadecoxy]-2-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@H](COCCCCCCCCCCCCCCC[C@H]1CC[C@H](C1)CCCCCCCCCCCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations