Geometry & MOs

Info

ID:	338893
PubChem CID:	127259904
Reduced:	SO3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	354.09258
ΔH_f, kcal/mol:	-91.1
Dipole, Da:	5.83
IP(EA), eV:	-9.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-methyl-3-phenoxybenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations