Geometry & MOs

Info

ID:	318690
PubChem CID:	126652725
Reduced:	FSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	273.083493
ΔH_f, kcal/mol:	-180.45
Dipole, Da:	3.91
IP(EA), eV:	-9.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-methyl-6-methylsulfonyl-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)S(=O)(=O)C)C(C)O)F

DOS

IR

Vibrations