Geometry & MOs

Info

ID:

412066

PubChem CID:

135084929

Reduced:

NiPO7C52H79 (1)

Stoich.:

ABC7D52E79 (1)

Weight, g/mol:

579.373925

ΔHf, kcal/mol:

-267.49

Dipole, Da:

10.27

IP(EA), eV:

 -7.76(-3.86)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-[2,4,6-tri(propan-2-yl)phenyl]imidazolidin-3-ium

Drug info:

PubChemData

Smile

C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.CC(C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C.[Ni]

DOS

IR

Vibrations