Geometry & MOs

Info

ID:

132354

PubChem CID:

51347646

Reduced:

BrFN3O3H15C17 (1)

Stoich.:

ABC3D3E15F17 (1)

Weight, g/mol:

1027.01291

ΔHf, kcal/mol:

-4.97

Dipole, Da:

10.54

IP(EA), eV:

 -8.35(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[[3,5-dibromo-2-[[5-bromo-2-(3-chloropyridin-2-yl)pyrazole-3-carbonyl]amino]benzoyl]-ethylamino]-N-ethylcarbamate;2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine

Drug info:

PubChemData

Smile

CC\1=C(/C(=C\2/C=CC(=O)C(=C2)F)/N(/C1=C/NO)C3=C(ON=C3C)C)Br

DOS

IR

Vibrations