Geometry & MOs

Info

ID:	228361
PubChem CID:	87564080
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	516.152593
ΔH_f, kcal/mol:	-136.62
Dipole, Da:	4.44
IP(EA), eV:	-9.05(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-5-fluoro-1,3-benzothiazol-2-yl]-2-(4-ethylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1=CC(=CN=C1)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations