Geometry & MOs

Info

ID:	147529
PubChem CID:	53787185
Reduced:	N2S4O6H23C29 (1)
Stoich.:	A2B4C6D23E29 (1)
Weight, g/mol:	306.111157
ΔH_f, kcal/mol:	-106.85
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962994
Charge, e:	0

Chem-info

IUPAC name:

3,3,4,4,9,9,10,10-octamethyl-3,4,9,10-tetrasilatricyclo[6.2.0.02,5]deca-1(8),2(5),6-triene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=CC4=[N+](C5=C(S4)C=CC(=C5)C6=CC=CC=C6)CS(=O)(=O)O)N3CS(=O)(=O)O

DOS

IR

Vibrations