Geometry & MOs

Info

ID:

181500

PubChem CID:

76751329

Reduced:

PN2S2O5C15H30 (1)

Stoich.:

AB2C2D5E15F30 (1)

Weight, g/mol:

697.2069

ΔHf, kcal/mol:

-256.11

Dipole, Da:

4.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.774973

Charge, e:

 0

Chem-info

IUPAC name:

iridium(3+);3-methyl-2-phenylpyridine

Drug info:

PubChemData

Smile

[CH2-]P(=O)(CCC1CC(CN1C(=O)CCCSSCCN)O)OCCO

DOS

IR

Vibrations