Geometry & MOs

Info

ID:

322387

PubChem CID:

126669977

Reduced:

N2F3O4H15C16 (1)

Stoich.:

A2B3C4D15E16 (1)

Weight, g/mol:

485.288971

ΔHf, kcal/mol:

-280.7

Dipole, Da:

4.66

IP(EA), eV:

 -8.94(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,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-[[6-(methylamino)pyridin-3-yl]methyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)NC(=O)NCC2=CC=CC=C2O

DOS

IR

Vibrations