Geometry & MOs

Info

ID:

341782

PubChem CID:

127264475

Reduced:

SiO4C24H36 (1)

Stoich.:

AB4C24D36 (1)

Weight, g/mol:

420.233201

ΔHf, kcal/mol:

-231.71

Dipole, Da:

6.29

IP(EA), eV:

 -8.82(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(1S,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](CCC3=CC=CC=C3)O)CC(=O)O2

DOS

IR

Vibrations