Geometry & MOs

Info

ID:	424146
PubChem CID:	135121488
Reduced:	ON3H11C17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	310.196651
ΔH_f, kcal/mol:	91.55
Dipole, Da:	5.13
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-ditert-butyl-3-butylsulfanylbenzene-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3C(=COC(=C3C#N)N)C#N

DOS

IR

Vibrations