Geometry & MOs

Info

ID:

44945

PubChem CID:

10506726

Reduced:

N2O7C31H32 (1)

Stoich.:

A2B7C31D32 (1)

Weight, g/mol:

544.319571

ΔHf, kcal/mol:

-206.52

Dipole, Da:

2.09

IP(EA), eV:

 -8.35(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (7E)-7-[2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-oct-1-enyl]-5-oxo-4-(trifluoromethyl)cyclopent-3-en-1-ylidene]heptanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C3CC(CN(C3=CC(=C2N1CC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)OC)(OC)OC

DOS

IR

Vibrations