Geometry & MOs

Info

ID:

83079

PubChem CID:

49857121

Reduced:

SiO3C30H50 (1)

Stoich.:

AB3C30D50 (1)

Weight, g/mol:

486.352922

ΔHf, kcal/mol:

-239.49

Dipole, Da:

1.67

IP(EA), eV:

 -8.7(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3aR,4S,7aR)-1-[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations