Geometry & MOs

Info

ID:

396872

PubChem CID:

135029372

Reduced:

SO4C60H80 (1)

Stoich.:

AB4C60D80 (1)

Weight, g/mol:

896.577732

ΔHf, kcal/mol:

-127.51

Dipole, Da:

2.76

IP(EA), eV:

 -8.38(-2.54)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[2,4,5-tris(3,5-ditert-butyl-4-oxidophenyl)thiophen-3-yl]phenolate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C2=C(SC(=C2C3=CC(=C(C(=C3)C(C)(C)C)[O-])C(C)(C)C)C4=CC(=C(C(=C4)C(C)(C)C)[O])C(C)(C)C)C5=CC(=C(C(=C5)C(C)(C)C)[O-])C(C)(C)C

DOS

IR

Vibrations