Geometry & MOs

Info

ID:

404867

PubChem CID:

135071537

Reduced:

BrO7H21C26 (1)

Stoich.:

AB7C21D26 (1)

Weight, g/mol:

578.306366

ΔHf, kcal/mol:

-211.48

Dipole, Da:

5.4

IP(EA), eV:

 -10.02(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S,3R)-3-ethenyloxiran-2-yl]-4-[(4-methoxyphenyl)methoxy]butan-2-yl] 2-[tert-butyl(dimethyl)silyl]oxy-6-[(1E,3Z)-penta-1,3-dienyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC[C@@H]2C(C([C@@H](O2)Br)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations