Geometry & MOs

Info

ID:	410468
PubChem CID:	135083266
Reduced:	P2Si6C32H65 (1)
Stoich.:	A2B6C32D65 (1)
Weight, g/mol:	448.099121
ΔH_f, kcal/mol:	-282.26
Dipole, Da:	3.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.871700
Charge, e:	0

Chem-info

IUPAC name:

bis(3-ethyl-2H-1,3-benzothiazol-2-yl)phosphanium;tetrafluoroborate

Drug info:

PubChemData

Smile

C[Si](C)(C)C(C1=CC(=C(C(=C1)C([Si](C)(C)C)[Si](C)(C)C)P=P[C]2[CH][CH][CH][CH]2)C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C

DOS

IR

Vibrations