Geometry & MOs

Info

ID:

310055

PubChem CID:

126573367

Reduced:

F2N2O3C19H30 (1)

Stoich.:

A2B2C3D19E30 (1)

Weight, g/mol:

520.314852

ΔHf, kcal/mol:

-226.36

Dipole, Da:

3.25

IP(EA), eV:

 -9.23(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-[2-[ethyl(prop-2-enoxycarbonyl)amino]ethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2(CCC1OC(=O)N3CC(C3)CC4CCN(CC4)CC(F)F)CO2

DOS

IR

Vibrations