Geometry & MOs

Info

ID:	158630
PubChem CID:	56464346
Reduced:	S2O3N5C22H31 (1)
Stoich.:	A2B3C5D22E31 (1)
Weight, g/mol:	480.230745
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	4.25
IP(EA), eV:	-8.41(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC(=CN3)S(=O)(=O)N4CCSCC4

DOS

IR

Vibrations