Geometry & MOs

Info

ID:	311516
PubChem CID:	126592989
Reduced:	BrFSN4O5C20H28 (1)
Stoich.:	ABCD4E5F20G28 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-243.77
Dipole, Da:	7.6
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,5R)-3-(2-iminoacetyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H](N1S(=O)(=O)NC(=O)OC(C)(C)C)C)C(=O)C(=NC2=CC(=C(C=C2)F)Br)N

DOS

IR

Vibrations