Geometry & MOs

Info

ID:

341596

PubChem CID:

127264289

Reduced:

PtP3C66H66 (1)

Stoich.:

AB3C66D66 (1)

Weight, g/mol:

604.084601

ΔHf, kcal/mol:

236.79

Dipole, Da:

2.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.120706

Charge, e:

 -1

Chem-info

IUPAC name:

[4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidoyl]azanide;dichloroplatinum

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[PH+]=C(C2=CC=CC=C2)C3=CC=CC=C3)C.CC1=CC(=C(C(=C1)C)[PH+]=C(C2=CC=CC=C2)C3=CC=CC=C3)C.CC1=CC(=C(C(=C1)C)[PH+]=C(C2=CC=CC=C2)C3=CC=CC=C3)C.[Pt]

DOS

IR

Vibrations