Geometry & MOs

Info

ID:	276900
PubChem CID:	103825654
Reduced:	BrNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	303.067762
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	5.66
IP(EA), eV:	-9.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations