Geometry & MOs

Info

ID:

310405

PubChem CID:

126579880

Reduced:

BrN2O3C14H15 (1)

Stoich.:

AB2C3D14E15 (1)

Weight, g/mol:

1553.172324

ΔHf, kcal/mol:

-19.79

Dipole, Da:

4.31

IP(EA), eV:

 -9.3(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-1-[(2S)-3-[2-[[[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-hydroxymethyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl] dodecanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(=O)Br)COC2=NN(C=C2)O

DOS

IR

Vibrations