Geometry & MOs

Info

ID:	304406
PubChem CID:	124582678
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	544.340315
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	7.37
IP(EA), eV:	-9.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C([C@@H](C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)C#N)C(=O)C

DOS

IR

Vibrations