Geometry & MOs

Info

ID:

44819

PubChem CID:

10506042

Reduced:

O5C32H52 (1)

Stoich.:

A5B32C52 (1)

Weight, g/mol:

516.327101

ΔHf, kcal/mol:

-279.77

Dipole, Da:

1.65

IP(EA), eV:

 -9.67(0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-6-phenylmethoxyheptan-1-ol

Drug info:

PubChemData

Smile

C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2[C@H](C[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)OC)O)O)O)C)C

DOS

IR

Vibrations