Geometry & MOs

Info

ID:

220690

PubChem CID:

85202828

Reduced:

SSiF3O8C34H49 (1)

Stoich.:

ABC3D8E34F49 (1)

Weight, g/mol:

712.445138

ΔHf, kcal/mol:

-521.32

Dipole, Da:

3.09

IP(EA), eV:

 -9.27(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(heptylamino)methylidene]-7-[8-[(heptylamino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1CC2C(C(CC(O2)CCCOCC3=CC=CC=C3)OCC4=CC=CC=C4)OC1(C)COS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations