Geometry & MOs

Info

ID:	32962
PubChem CID:	7849707
Reduced:	FSO4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	304.07693
ΔH_f, kcal/mol:	-176.98
Dipole, Da:	4.2
IP(EA), eV:	-9.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=CC=C2F

DOS

IR

Vibrations