Geometry & MOs

Info

ID:

322377

PubChem CID:

126669953

Reduced:

N2O7C27H42 (1)

Stoich.:

A2B7C27D42 (1)

Weight, g/mol:

459.273321

ΔHf, kcal/mol:

-248.66

Dipole, Da:

5.12

IP(EA), eV:

 -9.08(0.21)

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-imidazol-1-ylethyl)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(C[C@H]1CCN1C(=O)O[C@@H]2CC[C@]3(CO3)C([C@@H]2OC)[C@@]4([C@H](O4)CC=C(C)C)C)C(=O)OCC=C

DOS

IR

Vibrations