Geometry & MOs

Info

ID:	304407
PubChem CID:	124582947
Reduced:	NPO7C28H51 (1)
Stoich.:	ABC7D28E51 (1)
Weight, g/mol:	544.340315
ΔH_f, kcal/mol:	-354.53
Dipole, Da:	2.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751456
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-[(2R)-3-hydroxy-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O[C@@H](CO)COP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations