Geometry & MOs

Info

ID:	228456
PubChem CID:	87564567
Reduced:	O5N6C28H30 (1)
Stoich.:	A5B6C28D30 (1)
Weight, g/mol:	410.04198
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	4.59
IP(EA), eV:	-8.21(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCCC(=O)O)C1CC(CN1C(=O)O)NC2=N/C(=C/3\C=C(C=CC3=O)C4=CNN=C4)/NC5=CC=CC=C52

DOS

IR

Vibrations