Geometry & MOs

Info

ID:

381388

PubChem CID:

134972106

Reduced:

PO4C21H22 (1)

Stoich.:

AB4C21D22 (1)

Weight, g/mol:

512.12844

ΔHf, kcal/mol:

-112.22

Dipole, Da:

4.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.777815

Charge, e:

 0

Chem-info

IUPAC name:

(1-chloro-2-methylpropan-2-yl)oxy-[(10Z)-10-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methylidene]-9,9a-dihydro-4aH-anthracen-9-yl]phosphinic acid

Drug info:

PubChemData

Smile

CC(C)(COC)CO[P+](=O)C=C1C2=CC=CC=C2C(=O)C3=CC=CC=C31

DOS

IR

Vibrations