Geometry & MOs

Info

ID:	61394
PubChem CID:	26708812
Reduced:	ClSO3N5H20C24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	420.105625
ΔH_f, kcal/mol:	6.25
Dipole, Da:	3.98
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)/C=C/C(=O)NCCN3C(=O)/C(=C/C4=CC=C(C=C4)Cl)/SC3=O

DOS

IR

Vibrations