Geometry & MOs

Info

ID:	181857
PubChem CID:	76805417
Reduced:	SCl2O3N5H19C20 (1)
Stoich.:	AB2C3D5E19F20 (1)
Weight, g/mol:	433.102017
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	4.83
IP(EA), eV:	-8.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1OC2=CC3=C(C=C2)C=CN3)C(C)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations