Geometry & MOs

Info

ID:

312237

PubChem CID:

126603787

Reduced:

NO5C17H27 (1)

Stoich.:

AB5C17D27 (1)

Weight, g/mol:

427.257003

ΔHf, kcal/mol:

-182.68

Dipole, Da:

3.49

IP(EA), eV:

 -9.26(0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[2-(2-methoxyethoxy)ethyl]carbamate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CCC23CO3)OC(=O)N)OC)C

DOS

IR

Vibrations