Geometry & MOs

Info

ID:	298799
PubChem CID:	117656939
Reduced:	SO8H12C15 (1)
Stoich.:	AB8C12D15 (1)
Weight, g/mol:	340.24023
ΔH_f, kcal/mol:	-269.35
Dipole, Da:	8.96
IP(EA), eV:	-9.46(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-2-methyl-6-(2-methylpropyl)phenol

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)O)OC=O

DOS

IR

Vibrations