Geometry & MOs

Info

ID:	121884
PubChem CID:	50785278
Reduced:	SN5O5H19C21 (1)
Stoich.:	AB5C5D19E21 (1)
Weight, g/mol:	395.085224
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	6.59
IP(EA), eV:	-9.09(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-(3-oxo-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CN2C(=O)N3C(=N2)C=CC(=N3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations