Geometry & MOs

Info

ID:

127641

PubChem CID:

51009622

Reduced:

ClN3O3C34H38 (1)

Stoich.:

AB3C3D34E38 (1)

Weight, g/mol:

596.335328

ΔHf, kcal/mol:

-71.79

Dipole, Da:

8.44

IP(EA), eV:

 -8.88(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,2R,4S,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)OCCC2=CC=C(C=C2)C3=C([C@@H]4CN(C[C@@H](C3)N4)C(=O)C)C(=O)N(C)CCC5=CC=CC=C5

DOS

IR

Vibrations