Geometry & MOs

Info

ID:	188327
PubChem CID:	77700310
Reduced:	ClF2O2N6H15C16 (1)
Stoich.:	AB2C2D6E15F16 (1)
Weight, g/mol:	330.09258
ΔH_f, kcal/mol:	-87.62
Dipole, Da:	2.16
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-benzoylphenyl)-4-methylsulfonylbutan-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)NC(=O)C2CC(NN2)NC(=O)C3=CC(=C(C=C3Cl)F)F

DOS

IR

Vibrations