Geometry & MOs

Info

ID:	228628
PubChem CID:	87565446
Reduced:	BrNOC7H14 (1)
Stoich.:	ABCD7E14 (1)
Weight, g/mol:	523.126043
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	7.05
IP(EA), eV:	-9.52(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-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

CC[NH+]1CCC(=O)CC1.[Br-]

DOS

IR

Vibrations