Geometry & MOs

Info

ID:	298641
PubChem CID:	117653293
Reduced:	SF3O3N6H15C21 (1)
Stoich.:	AB3C3D6E15F21 (1)
Weight, g/mol:	413.084555
ΔH_f, kcal/mol:	-140.28
Dipole, Da:	9.7
IP(EA), eV:	-9.18(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(5-fluoropyridin-2-yl)-4-(2-methoxy-6-methylphenoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=C(N4)C=CC(=C5)S(=O)(=O)C(F)(F)F)N

DOS

IR

Vibrations