Geometry & MOs

Info

ID:	141770
PubChem CID:	52926174
Reduced:	NPO9C44H78 (1)
Stoich.:	ABC9D44E78 (1)
Weight, g/mol:	805.61967
ΔH_f, kcal/mol:	-515.33
Dipole, Da:	7.21
IP(EA), eV:	-9.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[hydroxy-[(2R)-2-icosanoyloxy-3-octadecoxypropoxy]phosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations