Geometry & MOs

Info

ID:	19382
PubChem CID:	562787
Reduced:	ClSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	248.027393
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	7.92
IP(EA), eV:	-9.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)Cl)C)C)OC

DOS

IR

Vibrations