Geometry & MOs

Info

ID:

226424

PubChem CID:

87351925

Reduced:

PtI2F3N3C18H20 (1)

Stoich.:

AB2C3D3E18F20 (1)

Weight, g/mol:

1280.513336

ΔHf, kcal/mol:

15.4

Dipole, Da:

7.48

IP(EA), eV:

 -8.08(-3.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[4-[2-[4,4-bis[4-[(4-carboxyphenyl)methoxy]-3-formyl-5-methylphenyl]cyclohexyl]propan-2-yl]-1-[4-[(4-carboxyphenyl)methoxy]-3-formyl-5-methylphenyl]cyclohexyl]-2-formyl-6-methylphenoxy]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=[Pt])N1C2CC2)C3CC3.C1=CC(=CC=C1CN(I)I)C(F)(F)F

DOS

IR

Vibrations