Geometry & MOs

Info

ID:	228785
PubChem CID:	87565782
Reduced:	O4C7H16 (2)
Stoich.:	A4B7C16 (2)
Weight, g/mol:	526.089324
ΔH_f, kcal/mol:	-366.28
Dipole, Da:	2.78
IP(EA), eV:	-9.73(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(OC)OC)OC.COC(CC(OC)OC)OC

DOS

IR

Vibrations