Geometry & MOs

Info

ID:	85058
PubChem CID:	49871536
Reduced:	O3C23H24 (1)
Stoich.:	A3B23C24 (1)
Weight, g/mol:	484.89196
ΔH_f, kcal/mol:	-24.65
Dipole, Da:	2.43
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,12-dimethyl-2-thia-9-aza-5,12-diazoniatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;diiodide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](C=CC2=C)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations