Geometry & MOs

Info

ID:	2291
PubChem CID:	6645
Reduced:	SO3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	186.035065
ΔH_f, kcal/mol:	-109.49
Dipole, Da:	5.24
IP(EA), eV:	-10.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations