Geometry & MOs

Info

ID:

51776

PubChem CID:

12014515

Reduced:

PO5H33C36 (1)

Stoich.:

AB5C33D36 (1)

Weight, g/mol:

577.214386

ΔHf, kcal/mol:

-116.43

Dipole, Da:

14.22

IP(EA), eV:

 -8.22(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(Z)-2-benzoyl-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-3-methylbut-1-enyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CC1(OC(=C(C(=O)O1)C(C)(C)/C(=C/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)C5=CC=CC=C5)[O-])C

DOS

IR

Vibrations