Geometry & MOs

Info

ID:	77877
PubChem CID:	49666154
Reduced:	FSO3N4H19C21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	414.096203
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	4.96
IP(EA), eV:	-9.1(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)S(=O)(=O)N(CC3=CC(=CC=C3)OC)C4=CC(=CC=C4)F

DOS

IR

Vibrations