Geometry & MOs

Info

ID:

382633

PubChem CID:

134973905

Reduced:

SiO8C35H46 (1)

Stoich.:

AB8C35D46 (1)

Weight, g/mol:

840.375463

ΔHf, kcal/mol:

-317.87

Dipole, Da:

7.68

IP(EA), eV:

 -8.66(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[(5S,6R,7S)-3-[(1S,2S,4aS,5S,6S,8S,8aR)-5-(methoxymethoxy)-1,6,8-trimethyl-2-[(E)-4-phenylsulfanylperoxybut-2-en-2-yl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-9-(dimethoxymethyl)-4-methoxy-7-(methoxymethoxy)-2-oxo-1-oxaspiro[4.5]deca-3,8-dien-6-yl]-2-methylprop-2-enal

Drug info:

PubChemData

Smile

C/C(=C\[C@@H]1[C@H](C=C(C[C@@]12C(=CC(=O)O2)OC)C(OC)OC)OCOC)/CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations