Geometry & MOs

Info

ID:

315952

PubChem CID:

126629481

Reduced:

N2F3O6C33H37 (1)

Stoich.:

A2B3C6D33E37 (1)

Weight, g/mol:

540.283552

ΔHf, kcal/mol:

-364.98

Dipole, Da:

4.99

IP(EA), eV:

 -9.25(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(7R,8R,9S)-7-benzyl-8-butyl-9-methyl-2-oxooxonan-3-yl]carbamoyl]-4-methoxypyridin-3-yl]oxymethyl acetate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](CCCC(C(=O)O1)NC(=O)C2=NC=CC(=C2O)OC)CCCC3=CC=CC=C3)CC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations