Geometry & MOs

Info

ID:

394281

PubChem CID:

135022675

Reduced:

BrO13C30H43 (1)

Stoich.:

AB13C30D43 (1)

Weight, g/mol:

610.262541

ΔHf, kcal/mol:

-535.34

Dipole, Da:

4.13

IP(EA), eV:

 -9.66(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,9R)-5-oxo-11-phenyl-3-[[(3R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecan-8-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1[C@H]2C(COC(O2)C3=CC=CC=C3)O[C@H]4C1OC(O4)(CBr)OCC5[C@H](C(C([C@H](O5)OC)OC)OC)OC

DOS

IR

Vibrations