Geometry & MOs

Info

ID:	166383
PubChem CID:	74681261
Reduced:	FSO2N4C23H24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	100.100048
ΔH_f, kcal/mol:	-24.78
Dipole, Da:	3.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.926854
Charge, e:	2

Chem-info

IUPAC name:

3-azoniabicyclo[3.1.0]hexan-6-ylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(SC=C2)C3=CC(=NN3)[NH+]=C4C5CC(CCC5OC=C4C=O)F)C

DOS

IR

Vibrations