Geometry & MOs

Info

ID:	327484
PubChem CID:	126690070
Reduced:	FOPS2N6C25H32 (1)
Stoich.:	ABCD2E6F25G32 (1)
Weight, g/mol:	497.183164
ΔH_f, kcal/mol:	4.57
Dipole, Da:	4.11
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-6-(4-ethylsulfanylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)C=CC(P2)N3CCN(C(C3)COC)SC)N(C)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations