Geometry & MOs

Info

ID:	228726
PubChem CID:	87565623
Reduced:	ClFSO3N4C23H28 (1)
Stoich.:	ABCD3E4F23G28 (1)
Weight, g/mol:	486.013572
ΔH_f, kcal/mol:	-100.23
Dipole, Da:	3.43
IP(EA), eV:	-9.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-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

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=NN(N=C4)CCCC(=O)O)/C3)S.Cl

DOS

IR

Vibrations