Geometry & MOs

Info

ID:	79039
PubChem CID:	49746494
Reduced:	SO4N5H15C20 (1)
Stoich.:	AB4C5D15E20 (1)
Weight, g/mol:	395.055147
ΔH_f, kcal/mol:	40.6
Dipole, Da:	3.93
IP(EA), eV:	-8.72(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)C5=NC(=NO5)C6=CC=CS6

DOS

IR

Vibrations