Geometry & MOs

Info

ID:

322406

PubChem CID:

126670034

Reduced:

F2N2O5C25H38 (1)

Stoich.:

A2B2C5D25E38 (1)

Weight, g/mol:

462.309372

ΔHf, kcal/mol:

-256.53

Dipole, Da:

3.82

IP(EA), eV:

 -9.19(0.46)

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-(2-pyrrolidin-1-ylethyl)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5CC(C5)(F)F)OC)C

DOS

IR

Vibrations