Geometry & MOs

Info

ID:	385398
PubChem CID:	134978960
Reduced:	BTiS2Si6C36H70 (1)
Stoich.:	ABC2D6E36F70 (1)
Weight, g/mol:	225.106431
ΔH_f, kcal/mol:	-193.71
Dipole, Da:	16.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.067321
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B(C1=C(C=C(C=C1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)([S-])[S-].CC1=CC(=[C-]C(=C1)C)C.[Ti+3]

DOS

IR

Vibrations