Geometry & MOs

Info

ID:	176389
PubChem CID:	76041482
Reduced:	NPO8C48H85 (1)
Stoich.:	ABC8D48E85 (1)
Weight, g/mol:	759.614191
ΔH_f, kcal/mol:	-445.54
Dipole, Da:	2.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751886
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadec-1-enoxypropyl] docosanoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations