Geometry & MOs

Info

ID:	77874
PubChem CID:	49666068
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	410.121275
ΔH_f, kcal/mol:	41.76
Dipole, Da:	4.98
IP(EA), eV:	-9.55(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C2N1C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations