Geometry & MOs

Info

ID:	77872
PubChem CID:	49666065
Reduced:	ClSO2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	414.096203
ΔH_f, kcal/mol:	48.37
Dipole, Da:	5.65
IP(EA), eV:	-9.67(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-difluorophenyl)methyl]-3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations