Geometry & MOs

Info

ID:

47456

PubChem CID:

10532884

Reduced:

Si3N5O6C34H57 (1)

Stoich.:

A3B5C6D34E57 (1)

Weight, g/mol:

716.349456

ΔHf, kcal/mol:

-408.88

Dipole, Da:

2.53

IP(EA), eV:

 -8.77(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,13-ditert-butyl-10-dimethylsulfonio-16-methyl-15-(trimethylsilylmethyl)-2-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]-dimethylsulfanium;ditetrafluoroborate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@H]5[C@H](O4)CO[Si](O[Si](O5)(C(C)C)C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C)N)C

DOS

IR

Vibrations