Geometry & MOs

Info

ID:

322303

PubChem CID:

126669665

Reduced:

ClO2N7C21H30 (1)

Stoich.:

AB2C7D21E30 (1)

Weight, g/mol:

452.252252

ΔHf, kcal/mol:

-28.78

Dipole, Da:

5.73

IP(EA), eV:

 -8.59(0.04)

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-(ethylcarbamoyloxy)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CN(C(CN1C(=O)OC)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N

DOS

IR

Vibrations