Geometry & MOs

Info

ID:

322343

PubChem CID:

126669859

Reduced:

N3O6C27H43 (1)

Stoich.:

A3B6C27D43 (1)

Weight, g/mol:

480.299951

ΔHf, kcal/mol:

-203.54

Dipole, Da:

3.02

IP(EA), eV:

 -9.16(0.27)

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-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]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)CCN5CCN(C(=O)C5)C)OC)C

DOS

IR

Vibrations