Geometry & MOs

Info

ID:	47457
PubChem CID:	10532885
Reduced:	SiB2S2F8C33H54 (1)
Stoich.:	AB2C2D8E33F54 (1)
Weight, g/mol:	573.355498
ΔH_f, kcal/mol:	-708.59
Dipole, Da:	13.81
IP(EA), eV:	-8.53(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[bis(3,6-ditert-butylazulen-1-yl)methylidene]thiophen-1-ium

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC1=C2CC(C3=C(C(=CC(=C3)C(C)(C)C)C(CC1=CC(=C2)C(C)(C)C)[S+](C)C)C[Si](C)(C)C)[S+](C)C

DOS

IR

Vibrations