Geometry & MOs

Info

ID:	175842
PubChem CID:	75959093
Reduced:	NPO9C36H70 (1)
Stoich.:	ABC9D36E70 (1)
Weight, g/mol:	547.291019
ΔH_f, kcal/mol:	-571.88
Dipole, Da:	2.27
IP(EA), eV:	-9.11(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[hydroxy-(2-hydroxy-3-icosa-8,11,14-trienoyloxypropoxy)phosphoryl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations