Geometry & MOs

Info

ID:	311515
PubChem CID:	126592988
Reduced:	BrFSO3N4C15H20 (1)
Stoich.:	ABCD3E4F15G20 (1)
Weight, g/mol:	534.09478
ΔH_f, kcal/mol:	-124.93
Dipole, Da:	6.75
IP(EA), eV:	-9.07(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,6R)-4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-2,6-dimethylpiperidin-1-yl]sulfonylcarbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations