Geometry & MOs

Info

ID:	6903
PubChem CID:	70433
Reduced:	SN3O4C39H59 (1)
Stoich.:	AB3C4D39E59 (1)
Weight, g/mol:	665.422629
ΔH_f, kcal/mol:	-175.1
Dipole, Da:	3.24
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[[4-(3,5-ditert-butyl-4-hydroxyphenoxy)-6-octylsulfanyl-1,3,5-triazin-2-yl]oxy]phenol

Drug info:

PubChemData

Smile

CCCCCCCCSC1=NC(=NC(=N1)OC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations