Geometry & MOs

Info

ID:	310629
PubChem CID:	126583995
Reduced:	FSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	391.03654
ΔH_f, kcal/mol:	-159.5
Dipole, Da:	4.38
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[S-[(2R)-2-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N-(2-hydroxyethyl)sulfonimidoyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CNC(=O)CCNS(=O)(=O)C1=C(C=C(C=C1)C2=CNC3=C2C=CC(=C3)F)CO

DOS

IR

Vibrations