Geometry & MOs

Info

ID:

230058

PubChem CID:

87569978

Reduced:

FNO6C19H26 (1)

Stoich.:

ABC6D19E26 (1)

Weight, g/mol:

839.160179

ΔHf, kcal/mol:

-254.33

Dipole, Da:

5.59

IP(EA), eV:

 -8.73(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione;3-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]bicyclo[3.2.1]octane-2,4-dione

Drug info:

PubChemData

Smile

CC(=NOCCCCC1COC(OC1)(C)C(=O)O)C2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations