Geometry & MOs

Info

ID:	123191
PubChem CID:	50836731
Reduced:	F3N4O4H19C22 (1)
Stoich.:	A3B4C4D19E22 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	-230.47
Dipole, Da:	9.1
IP(EA), eV:	-9.03(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3CC(=O)N(C3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations