Geometry & MOs

Info

ID:	77632
PubChem CID:	49658501
Reduced:	ClFSO2N5H13C19 (1)
Stoich.:	ABCD2E5F13G19 (1)
Weight, g/mol:	425.071324
ΔH_f, kcal/mol:	9.57
Dipole, Da:	6.77
IP(EA), eV:	-9.07(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[6-(4-methylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=NN3C(=NN(C3=O)CC(=O)NC4=CC(=C(C=C4)F)Cl)C=C2

DOS

IR

Vibrations