Geometry & MOs

Info

ID:

51773

PubChem CID:

12014510

Reduced:

SO2C11H14 (4)

Stoich.:

AB2C11D14 (4)

Weight, g/mol:

530.185826

ΔHf, kcal/mol:

-211.44

Dipole, Da:

9.1

IP(EA), eV:

 -7.98(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-3-methoxycarbonyl-2-methyl-4-triphenylphosphaniumylbut-3-en-2-yl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)S(=O)C3=CC(=CC(=C3OC)S(=O)C4=CC(=CC(=C4OC)S(=O)C5=C(C(=CC(=C5)C(C)(C)C)S2=O)OC)C(C)(C)C)C(C)(C)C)OC

DOS

IR

Vibrations