Geometry & MOs

Info

ID:	80625
PubChem CID:	49835598
Reduced:	ClN4O4C21H25 (1)
Stoich.:	AB4C4D21E25 (1)
Weight, g/mol:	486.158643
ΔH_f, kcal/mol:	-169.58
Dipole, Da:	2.31
IP(EA), eV:	-9.19(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-(6-amino-2-methylpyrimidin-4-yl)-6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-2-yl]benzene-1,4-diamine

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1N2C3=C(C=C(C=N3)Cl)NC2=O)C(=O)OC4C5CC6CC4CC(C6)(C5)O

DOS

IR

Vibrations