Geometry & MOs

Info

ID:

227223

PubChem CID:

87560707

Reduced:

Cl2S6N14O20H32C45 (1)

Stoich.:

A2B6C14D20E32F45 (1)

Weight, g/mol:

712.405507

ΔHf, kcal/mol:

-462.54

Dipole, Da:

3.68

IP(EA), eV:

 -9.06(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-lambda3-chloranyl]-2-chlorocyclohexyl]-dicyclohexyl-(ethoxymethylidene)-lambda5-phosphane

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=CC4=C3C(=O)/C(=N/NC5=CC=CC=C5S(=O)(=O)O)/C(=C4)S(=O)(=O)O)S(=O)(=O)O)C6=NC(=NC(=N6)NC7=CC(=CC8=C7C(=O)/C(=N/NC9=CC=CC=C9S(=O)(=O)O)/C(=C8)S(=O)(=O)O)S(=O)(=O)O)Cl

DOS

IR

Vibrations