Geometry & MOs

Info

ID:

322435

PubChem CID:

126670146

Reduced:

SCl2O2N3C24H31 (1)

Stoich.:

AB2C2D3E24F31 (1)

Weight, g/mol:

456.262422

ΔHf, kcal/mol:

-60.69

Dipole, Da:

4.92

IP(EA), eV:

 -8.7(-0.4)

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-(pyridin-2-ylmethyl)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(N(C[C@@H]1CC2=CC=C(C=C2)Cl)C3CCNCC3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations