Geometry & MOs

Info

ID:

44904

PubChem CID:

10506460

Reduced:

NO6C32H39 (1)

Stoich.:

AB6C32D39 (1)

Weight, g/mol:

533.299277

ΔHf, kcal/mol:

-233.33

Dipole, Da:

3.56

IP(EA), eV:

 -8.52(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCOC)CCC4=C3C=CC(=C4CCN5C(=O)C6=CC=CC=C6C5=O)OCOC

DOS

IR

Vibrations