Geometry & MOs

Info

ID:

379438

PubChem CID:

134419480

Reduced:

ClO4C49H49 (1)

Stoich.:

AB4C49D49 (1)

Weight, g/mol:

912.436545

ΔHf, kcal/mol:

-99.34

Dipole, Da:

2.9

IP(EA), eV:

 -8.27(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(9,9-dimethylfluoren-2-yl)-7-[9-methyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4)C5=CC6=C(C=C5)C7=C(C6(CCCCCOC(=O)C=C)CCCCCOC(=O)C=C)C=C(C=C7)Cl)C=C2

DOS

IR

Vibrations