Geometry & MOs

Info

ID:	77876
PubChem CID:	49666153
Reduced:	FSO2N4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	426.11619
ΔH_f, kcal/mol:	10.98
Dipole, Da:	2.89
IP(EA), eV:	-9.19(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-N-[(3-methoxyphenyl)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=C(C=C3)C=C)C4=CC(=CC=C4)F

DOS

IR

Vibrations