Geometry & MOs

Info

ID:	19394
PubChem CID:	562886
Reduced:	SO4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	276.04563
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	4.89
IP(EA), eV:	-9.33(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=CC2=O

DOS

IR

Vibrations