Geometry & MOs

Info

ID:	79059
PubChem CID:	49746623
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	365.080968
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	3.34
IP(EA), eV:	-9.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)CN2CC(C2)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations