Geometry & MOs

Info

ID:	278690
PubChem CID:	103837048
Reduced:	BrNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	313.058421
ΔH_f, kcal/mol:	-82.77
Dipole, Da:	5.66
IP(EA), eV:	-9.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)S(=O)(=O)N[C@@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations