Geometry & MOs

Info

ID:

312239

PubChem CID:

126603803

Reduced:

NO6C24H39 (1)

Stoich.:

AB6C24D39 (1)

Weight, g/mol:

413.241352

ΔHf, kcal/mol:

-243.52

Dipole, Da:

3.56

IP(EA), eV:

 -9.68(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[2-[(E)-3-methylbut-1-enoxy]propan-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)/C=C/[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CCCC4C(C)(C)O)OC

DOS

IR

Vibrations