Geometry & MOs

Info

ID:

383593

PubChem CID:

134975392

Reduced:

O6C17H30 (1)

Stoich.:

A6B17C30 (1)

Weight, g/mol:

524.371304

ΔHf, kcal/mol:

-322.82

Dipole, Da:

5.77

IP(EA), eV:

 -9.66(0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R,5S)-5-[(2S,5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]([C@]1(CC[C@H](O1)[C@@]2(CC[C@@H](O2)C(C)(C)O)C)C)O

DOS

IR

Vibrations