Geometry & MOs

Info

ID:	230778
PubChem CID:	87571981
Reduced:	SiN2O11C33H44 (1)
Stoich.:	AB2C11D33E44 (1)
Weight, g/mol:	334.102751
ΔH_f, kcal/mol:	-451.94
Dipole, Da:	2.42
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)dibenzothiophen-5-ium;acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)CC3=CC=C(C=C3)C#C[Si](C)(C)C

DOS

IR

Vibrations