Geometry & MOs

Info

ID:

148289

PubChem CID:

53787951

Reduced:

N3O4H19C22 (1)

Stoich.:

A3B4C19D22 (1)

Weight, g/mol:

962.603686

ΔHf, kcal/mol:

-83.07

Dipole, Da:

4.88

IP(EA), eV:

 -9.14(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-[hydroxy-[[2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]phosphoryl]oxy-2-icosa-5,8,11,14-tetraenoyloxypropyl] icosa-5,8,11,14-tetraenoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C(N1)C2CC3=C(C2=O)C=CC=C3C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations