Geometry & MOs

Info

ID:	56950
PubChem CID:	22395025
Reduced:	SO7C11H20 (1)
Stoich.:	AB7C11D20 (1)
Weight, g/mol:	392.214016
ΔH_f, kcal/mol:	-326.62
Dipole, Da:	6.95
IP(EA), eV:	-11.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-tritylphenol

Drug info:

PubChemData

Smile

CCCCCOC(=O)C(C)(CC(=O)OC)S(=O)(=O)O

DOS

IR

Vibrations