Geometry & MOs

Info

ID:	298648
PubChem CID:	117653483
Reduced:	BrFCl2N4H16C20 (1)
Stoich.:	ABC2D4E16F20 (1)
Weight, g/mol:	433.029933
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	1.63
IP(EA), eV:	-9.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methoxyphenoxy)-3-cyano-N-(5-fluoropyridin-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2)C3=CC(=C(C=C3)F)Br)C4=CN=CC=C4.Cl.Cl

DOS

IR

Vibrations