Geometry & MOs

Info

ID:

125140

PubChem CID:

50911445

Reduced:

ClOPtN2H12C14 (1)

Stoich.:

ABCD2E12F14 (1)

Weight, g/mol:

858.97001

ΔHf, kcal/mol:

77.66

Dipole, Da:

8.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.786672

Charge, e:

 -3

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylazanide;dichloroiridium(1+)

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NC2=CC=CC=C2C=O)N.Cl[Pt+]

DOS

IR

Vibrations