Geometry & MOs

Info

ID:	18333
PubChem CID:	539661
Reduced:	SO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	228.082016
ΔH_f, kcal/mol:	-126.05
Dipole, Da:	6.88
IP(EA), eV:	-9.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutylsulfonyl)phenol

Drug info:

PubChemData

Smile

CC(C)CCS(=O)(=O)C1=CC=CC=C1O

DOS

IR

Vibrations