Geometry & MOs

Info

ID:	338892
PubChem CID:	127259903
Reduced:	FSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	276.082016
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	4.36
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3,4-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2)F

DOS

IR

Vibrations