Geometry & MOs

Info

ID:

341593

PubChem CID:

127264286

Reduced:

PtP3C63H66 (1)

Stoich.:

AB3C63D66 (1)

Weight, g/mol:

384.027174

ΔHf, kcal/mol:

245.42

Dipole, Da:

16.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.914537

Charge, e:

 -3

Chem-info

IUPAC name:

azanide;2,6-dioxo-4,5-dihydropyrimidin-3-ide-4-carboxylic acid;platinum

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations