Geometry & MOs

Info

ID:

381395

PubChem CID:

134972114

Reduced:

ClO2N3H16C22 (1)

Stoich.:

AB2C3D16E22 (1)

Weight, g/mol:

542.094553

ΔHf, kcal/mol:

17.79

Dipole, Da:

6.02

IP(EA), eV:

 -8.05(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[10-[chloro-(3-chloro-2,2-dimethylpropoxy)phosphoryl]-10H-anthracen-9-ylidene]methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C(=CC=C3)N)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations