Geometry & MOs

Info

ID:	84239
PubChem CID:	49865091
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	411.065365
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	9.15
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN3C=CN=C3

DOS

IR

Vibrations