Geometry & MOs

Info

ID:	189361
PubChem CID:	77844803
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	478.14749
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	2.62
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)C3=CN=C(C=N3)N)F

DOS

IR

Vibrations