Geometry & MOs

Info

ID:

411997

PubChem CID:

135084860

Reduced:

P2O6F8H30C43 (1)

Stoich.:

A2B6C8D30E43 (1)

Weight, g/mol:

982.46437

ΔHf, kcal/mol:

-499.97

Dipole, Da:

2.38

IP(EA), eV:

 -9.34(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,7-ditert-butyl-5-(10,16-diphenyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-yl)-9,9-dimethyl-4a,9a-dihydroxanthen-4-yl]-diphenylphosphane

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O2)OC3=CC=CC=C3)OP(C4=CC(=CC(=C4)F)F)C5=CC(=CC(=C5)F)F)OP(C6=CC(=CC(=C6)F)F)C7=CC(=CC(=C7)F)F)OC(O1)C8=CC=CC=C8

DOS

IR

Vibrations