Geometry & MOs

Info

ID:

384800

PubChem CID:

134977692

Reduced:

AlO3S3Cl4C57H71 (1)

Stoich.:

AB3C3D4E57F71 (1)

Weight, g/mol:

898.44871

ΔHf, kcal/mol:

-267.88

Dipole, Da:

13.36

IP(EA), eV:

 -8.27(-2.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[2,3-bis[5-(3,5-ditert-butyl-4-hydroxyphenyl)thiophen-2-yl]cyclopropylidene]thiophen-2-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=[S+]C(=C3C(C3C4=CC=C(S4)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C)C6=CC=C(S6)C7=CC(=C(C(=C7)C(C)(C)C)O)C(C)(C)C)C=C2.[Al-](Cl)(Cl)(Cl)Cl

DOS

IR

Vibrations