Geometry & MOs

Info

ID:

412537

PubChem CID:

135085433

Reduced:

PSi2O4H40C56 (1)

Stoich.:

AB2C4D40E56 (1)

Weight, g/mol:

748.440918

ΔHf, kcal/mol:

-42.9

Dipole, Da:

4.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.778256

Charge, e:

 0

Chem-info

IUPAC name:

13-hydroxy-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7[Si](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1)[O-]

DOS

IR

Vibrations