Geometry & MOs

Info

ID:	79032
PubChem CID:	49746479
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	377.040104
ΔH_f, kcal/mol:	11.61
Dipole, Da:	3.1
IP(EA), eV:	-8.92(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CC(C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations