Geometry & MOs

Info

ID:	79068
PubChem CID:	49746657
Reduced:	SO2N5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	68.08
Dipole, Da:	5.77
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1CC(=O)NC2=CN=CC=C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations