Geometry & MOs

Info

ID:	38965
PubChem CID:	8138258
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	369.058341
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	4.44
IP(EA), eV:	-9.49(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations