Geometry & MOs

Info

ID:

232860

PubChem CID:

87577267

Reduced:

ClOS2N4C14H15 (1)

Stoich.:

ABC2D4E14F15 (1)

Weight, g/mol:

833.14782

ΔHf, kcal/mol:

32.67

Dipole, Da:

5.27

IP(EA), eV:

 -8.69(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-chloro-4-methylsulfonyl-3-(oxolan-2-ylmethoxymethyl)benzoyl]cyclohexane-1,3-dione;3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)N)C2=CSC(=N2)N)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations