Geometry & MOs

Info

ID:	147019
PubChem CID:	53777080
Reduced:	SF3O5C9H11 (1)
Stoich.:	AB3C5D9E11 (1)
Weight, g/mol:	494.046998
ΔH_f, kcal/mol:	-358.92
Dipole, Da:	5.17
IP(EA), eV:	-9.94(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chloro-3,5-dimethyl-4-methylsulfonylbenzoyl)-2,5-dimethylpyrazol-3-yl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1(CCC(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)O

DOS

IR

Vibrations