Geometry & MOs

Info

ID:	228560
PubChem CID:	87565295
Reduced:	O6C9H20 (1)
Stoich.:	A6B9C20 (1)
Weight, g/mol:	496.078759
ΔH_f, kcal/mol:	-288.87
Dipole, Da:	5.13
IP(EA), eV:	-10.3(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CCCO.C(COCCO)O

DOS

IR

Vibrations