Geometry & MOs

Info

ID:

163200

PubChem CID:

57654743

Reduced:

SO5C58H66 (1)

Stoich.:

AB5C58D66 (1)

Weight, g/mol:

777.450557

ΔHf, kcal/mol:

-178.68

Dipole, Da:

1.94

IP(EA), eV:

 -8.48(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(5-butoxy-4,6-dimethylpyridin-2-yl)anilino]-5-[3,5-dimethyl-4-[(4-pentylcyclohexyl)methoxy]anilino]anthracene-9,10-dione

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)SC4=C5C(=C(C(=C4)C6=CC=C(C=C6)C(=O)OC7CCC(CC7)CCCCC)O)C(=O)C8=CC=CC=C8C5=O

DOS

IR

Vibrations