Geometry & MOs

Info

ID:	46105
PubChem CID:	10521683
Reduced:	SO5C18H20 (1)
Stoich.:	AB5C18D20 (1)
Weight, g/mol:	350.101037
ΔH_f, kcal/mol:	-132.81
Dipole, Da:	7.46
IP(EA), eV:	-9.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@@H](O2)COCC3=CC=CC=C3

DOS

IR

Vibrations