Geometry & MOs

Info

ID:	141768
PubChem CID:	52926138
Reduced:	NPO9C43H84 (1)
Stoich.:	ABC9D43E84 (1)
Weight, g/mol:	833.650971
ΔH_f, kcal/mol:	-611.57
Dipole, Da:	4.56
IP(EA), eV:	-9.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[[(2R)-2-docosanoyloxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCC

DOS

IR

Vibrations