Geometry & MOs

Info

ID:	379150
PubChem CID:	134354941
Reduced:	SO4N6C12H18 (1)
Stoich.:	AB4C6D12E18 (1)
Weight, g/mol:	460.269908
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	3.89
IP(EA), eV:	-9.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-amino-1-(4-benzylpiperazin-1-yl)-4-[C-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)carbonimidoyl]hex-4-en-1-one

Drug info:

PubChemData

Smile

C=N/C(=N\OCCNS(=O)(=O)N1CCOCC1)/C2=NC=CN=C2

DOS

IR

Vibrations