Geometry & MOs

Info

ID:

396864

PubChem CID:

135029360

Reduced:

PO2C23H23 (2)

Stoich.:

AB2C23D23 (2)

Weight, g/mol:

752.318434

ΔHf, kcal/mol:

-32.72

Dipole, Da:

3.11

IP(EA), eV:

 -8.02(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R)-4-(diphenylphosphanylmethyl)-8,17-dimethoxy-10,15-dioxatricyclo[14.2.2.26,9]docosa-1(18),6,8,16,19,21-hexaen-3-yl]methyl-diphenylphosphane

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2[C@H]([C@@H](CC3=CC(=C(C=C23)OC)OC)CP(C4=CC=CC=C4)C5=CC=CC=C5)CP(C6=CC=CC=C6)C7=CC=CC=C7)OC

DOS

IR

Vibrations