Geometry & MOs

Info

ID:

59327

PubChem CID:

24779004

Reduced:

NPO8C41H82 (1)

Stoich.:

ABC8D41E82 (1)

Weight, g/mol:

786.543766

ΔHf, kcal/mol:

-550.62

Dipole, Da:

16.8

IP(EA), eV:

 -8.57(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-3-[6-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)hexanoyloxy]-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations