Geometry & MOs

Info

ID:	13807
PubChem CID:	398519
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-133.56
Dipole, Da:	4.54
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-ditert-butyl-7-hydroxy-1,3-benzoxathiol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1O)OC(=O)S2)C(C)(C)C

DOS

IR

Vibrations