Geometry & MOs

Info

ID:	77875
PubChem CID:	49666152
Reduced:	FSO2N4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	422.121275
ΔH_f, kcal/mol:	-8.99
Dipole, Da:	3.48
IP(EA), eV:	-9.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C2=CC(=CC=C2)F)S(=O)(=O)C3=CN4C(=NN=C4C=C3)C

DOS

IR

Vibrations