Geometry & MOs

Info

ID:

409969

PubChem CID:

135082756

Reduced:

CuCl2N2O10C24H30 (1)

Stoich.:

AB2C2D10E24F30 (1)

Weight, g/mol:

492.16953

ΔHf, kcal/mol:

-55.1

Dipole, Da:

6.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762583

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5R)-1-bromo-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-4-(phenylmethoxymethyl)cyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H]1COC(=N1)C(C)(C)C2=N[C@H](CO2)CC3=CC=CC=C3.CC1=CC=CC=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+2]

DOS

IR

Vibrations