Geometry & MOs

Info

ID:	339330
PubChem CID:	127261164
Reduced:	SO5H20C21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	242.06128
ΔH_f, kcal/mol:	-131.91
Dipole, Da:	6.22
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-ethenoxy-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOS(=O)(=O)C1=C(C=C(C=C1)C)OC2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations