Geometry & MOs

Info

ID:

384799

PubChem CID:

134977691

Reduced:

ClO2C59H60 (1)

Stoich.:

AB2C59D60 (1)

Weight, g/mol:

1068.310534

ΔHf, kcal/mol:

33.0

Dipole, Da:

0.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.241521

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[2,3-bis[5-(3,5-ditert-butyl-4-hydroxyphenyl)thiophen-2-yl]cyclopropylidene]thiophen-1-ium-2-yl]-2,6-ditert-butylphenol;tetrachloroalumanuide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5C([C+]5Cl)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC(=C(C(=C9)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations