Geometry & MOs

Info

ID:

325486

PubChem CID:

126683531

Reduced:

N2O6C25H46 (1)

Stoich.:

A2B6C25D46 (1)

Weight, g/mol:

2218.151963

ΔHf, kcal/mol:

-337.88

Dipole, Da:

4.6

IP(EA), eV:

 -9.58(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-tert-butyl-2-[[2-[[5-[5-[3-[[(1S)-2-[[5-[5-[3-[[(1S)-2-[[5-tert-butyl-2-hydroxy-3-(3,4,5-trimethylphenoxy)phenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-hydroxy-5-(3,4,5-trimethylphenoxy)phenyl]-2,5-dimethylhexan-2-yl]-2-hydroxy-3-(2,4,6-trimethylphenoxy)phenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-hydroxy-5-(2,4,6-trimethylphenoxy)phenyl]-2,5-dimethylhexan-2-yl]-2-hydroxy-3-phenoxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-phenoxyphenol

Drug info:

PubChemData

Smile

CC(C)(C)CCN(COC(=O)C(C)(C)C(C)(C)CCN(CCOC(=O)C(C)(C)C)C=O)C=O

DOS

IR

Vibrations