Geometry & MOs

Info

ID:

385608

PubChem CID:

134979536

Reduced:

NO6C21H27 (1)

Stoich.:

AB6C21D27 (1)

Weight, g/mol:

656.27166

ΔHf, kcal/mol:

-251.24

Dipole, Da:

5.33

IP(EA), eV:

 -9.08(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R)-1-bromo-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5-dimethylcyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC(=C(C[C@@H]1OC(=O)OCC)C)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations