Geometry & MOs

Info

ID:	131766
PubChem CID:	51259513
Reduced:	FO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	379.056152
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	2.67
IP(EA), eV:	-9.38(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5-[1-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)F

DOS

IR

Vibrations