Geometry & MOs

Info

ID:	408951
PubChem CID:	135081723
Reduced:	NF2K2O2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	188.947369
ΔH_f, kcal/mol:	-219.65
Dipole, Da:	7.35
IP(EA), eV:	-6.41(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-7lambda4,8-dithia-9-azabicyclo[4.3.0]nona-1(9),2,4,6-tetraene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[N-]C1=C(C=[C-]C(=C1)F)F.[K+].[K+]

DOS

IR

Vibrations