Geometry & MOs

Info

ID:

79967

PubChem CID:

49831888

Reduced:

SiCo2O9C26H36 (1)

Stoich.:

AB2C9D26E36 (1)

Weight, g/mol:

540.02333

ΔHf, kcal/mol:

-442.18

Dipole, Da:

38.07

IP(EA), eV:

 -9.6(-5.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(6-bromo-2-oxochromen-3-yl)-1-[3-(3-fluorophenyl)-1,8-naphthyridin-2-yl]pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O[C@H]1C[C@H]([C]=[C]CC1(C)C)OC(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

DOS

IR

Vibrations