Geometry & MOs

Info

ID:	298645
PubChem CID:	117653455
Reduced:	ClSO3N7H16C21 (1)
Stoich.:	ABC3D7E16F21 (1)
Weight, g/mol:	461.975645
ΔH_f, kcal/mol:	47.54
Dipole, Da:	7.01
IP(EA), eV:	-9.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-4-(3,5-dichloro-4-cyanophenoxy)-N-(5-fluoropyridin-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)S(=O)(=O)N)C2=NC(=NC=C2)N)N3C=NC=CC3OC4=C(C(=CC=C4)Cl)C#N

DOS

IR

Vibrations