Geometry & MOs

Info

ID:

391803

PubChem CID:

135009718

Reduced:

BrOSiC22H25 (1)

Stoich.:

ABCD22E25 (1)

Weight, g/mol:

838.429213

ΔHf, kcal/mol:

7.95

Dipole, Da:

1.58

IP(EA), eV:

 -9.0(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,9S)-8-[[(2R,5R)-3-[(4-tert-butylphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(CC=C)C#CBr

DOS

IR

Vibrations