Geometry & MOs

Info

ID:

409534

PubChem CID:

135082316

Reduced:

H62C101 (1)

Stoich.:

A62B101 (1)

Weight, g/mol:

600.161933

ΔHf, kcal/mol:

1744.95

Dipole, Da:

4.37

IP(EA), eV:

 -7.8(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-1-(1,3-dioxol-4-yl)-1-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)prop-1-en-2-yl]-diphenylphosphane

Drug info:

PubChemData

Smile

C1CC2=C3C4C1C5=CC6=CC7=CC8=CC9CC1=CC%10=CC%11=CC%12=CC(C5)C5=C%13C%12=C%12C%11=C%11C%10=C(C1)C1=CCC%10C%14CC%15CC%16=CC%17=CC%18=CC%19=C(CCC2=C%19C2C%18C%18C%17C%17=C%16C(=C%15)C%15=CC=C9C9C8C8C7C(C46)C(=C23)C%18=C8C%17=C9%15)C2=CC3=CC(=C%14)C4=C6C3=C3C2CC(=CC5)C%13=C3C%12=C6C%11=C1C%104

DOS

IR

Vibrations