Geometry & MOs

Info

ID:	408483
PubChem CID:	135081249
Reduced:	N2O3H19C22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	280.88299
ΔH_f, kcal/mol:	17.08
Dipole, Da:	6.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759752
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-7lambda4,9-dithia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC2=[N+](NOC2=O)C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations