Geometry & MOs

Info

ID:

149757

PubChem CID:

53789433

Reduced:

O5C29H30 (1)

Stoich.:

A5B29C30 (1)

Weight, g/mol:

642.486349

ΔHf, kcal/mol:

-133.33

Dipole, Da:

3.93

IP(EA), eV:

 -8.52(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,3aS,7aS)-7a-methyl-4-[2-[(3S,5R)-2-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)OCC=C2C3=C(C4=CC=CC=C42)C(=CC=C3)OC)C(=O)OCC

DOS

IR

Vibrations