Geometry & MOs

Info

ID:

404631

PubChem CID:

135068049

Reduced:

SiO3C17H30 (1)

Stoich.:

AB3C17D30 (1)

Weight, g/mol:

1689.859664

ΔHf, kcal/mol:

-179.6

Dipole, Da:

2.51

IP(EA), eV:

 -9.14(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

diphenylphosphorylbenzene;iron(4+);3,4,8,9,13,14,18,19-octakis(4-tert-butylphenyl)-6,11,16,21-tetraza-20,22,23-triazanidapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1,3,5,7,9,11,13,15(21),16,18-decaene

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H]2C=C[C@H](O2)[C@@H](C1=O)O[Si](CC)(CC)CC

DOS

IR

Vibrations