Geometry & MOs

Info

ID:

45207

PubChem CID:

10509378

Reduced:

N2F3H14C21 (2)

Stoich.:

A2B3C14D21 (2)

Weight, g/mol:

770.606366

ΔHf, kcal/mol:

35.69

Dipole, Da:

4.2

IP(EA), eV:

 -8.66(-2.33)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[hydroxy-[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-octadecoxypropoxy]phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C(F)(F)F)C=C5)C7=C(C=C(C=C7C)C#C)C)C=C4)C(F)(F)F)N3)C)C#C

DOS

IR

Vibrations