Geometry & MOs

Info

ID:	229646
PubChem CID:	87568295
Reduced:	SO4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-77.25
Dipole, Da:	6.32
IP(EA), eV:	-9.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-pent-4-enoxybenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OOC(C)CC=C

DOS

IR

Vibrations