Geometry & MOs

Info

ID:	228353
PubChem CID:	87564065
Reduced:	NO2C10H21 (1)
Stoich.:	AB2C10D21 (1)
Weight, g/mol:	452.052544
ΔH_f, kcal/mol:	-136.35
Dipole, Da:	5.46
IP(EA), eV:	-10.24(0.8)
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]acetamide

Drug info:

PubChemData

Smile

CCCCCCCC(C)NC(=O)O

DOS

IR

Vibrations