Geometry & MOs

Info

ID:	141762
PubChem CID:	52925600
Reduced:	NPO10C42H76 (1)
Stoich.:	ABC10D42E76 (1)
Weight, g/mol:	747.505035
ΔH_f, kcal/mol:	-595.47
Dipole, Da:	4.28
IP(EA), eV:	-9.49(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-tridecanoyloxypropoxy]phosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\CCCC

DOS

IR

Vibrations