Geometry & MOs

Info

ID:	79041
PubChem CID:	49746502
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	392.99467
ΔH_f, kcal/mol:	58.85
Dipole, Da:	2.35
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CC(C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations