Geometry & MOs

Info

ID:

394425

PubChem CID:

135022981

Reduced:

O13C30H42 (1)

Stoich.:

A13B30C42 (1)

Weight, g/mol:

690.1887

ΔHf, kcal/mol:

-536.9

Dipole, Da:

4.54

IP(EA), eV:

 -9.71(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,9R)-5-(bromomethyl)-11-phenyl-5-[[(3R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-2,4,6,10,12-pentaoxatricyclo[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@@]4(C1OC(=O)C4)OCC5[C@H](C(C([C@H](O5)OC)OC)OC)OC

DOS

IR

Vibrations