Geometry & MOs

Info

ID:	79056
PubChem CID:	49746594
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	397.066717
ΔH_f, kcal/mol:	14.04
Dipole, Da:	2.7
IP(EA), eV:	-9.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2CC(C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations