Geometry & MOs

Info

ID:	276899
PubChem CID:	103825652
Reduced:	BrNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	369.00343
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	5.46
IP(EA), eV:	-9.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide

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