Geometry & MOs

Info

ID:	313193
PubChem CID:	126612489
Reduced:	F2S2O9C18H22 (1)
Stoich.:	A2B2C9D18E22 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-446.65
Dipole, Da:	6.43
IP(EA), eV:	-9.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7,8,9,10-hexahydro-1H-imidazo[4,5-c]azonin-4-one

Drug info:

PubChemData

Smile

CC1CC2CC(C1)CC(C2)OC(=O)COC3=C(C=C(C=C3)OS(=O)(=O)F)OS(=O)(=O)F

DOS

IR

Vibrations