Geometry & MOs

Info

ID:

44681

PubChem CID:

10505335

Reduced:

Si2N5O5C21H35 (1)

Stoich.:

A2B5C5D21E35 (1)

Weight, g/mol:

493.340748

ΔHf, kcal/mol:

-262.6

Dipole, Da:

10.01

IP(EA), eV:

 -9.23(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3aS,4R,5S,7aS)-1-acetyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-2-trimethylsilyloxybutanenitrile

Drug info:

PubChemData

Smile

C[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2NC(=NC3=O)NC(=O)CCC=C)O[Si](C)(C)C

DOS

IR

Vibrations