Geometry & MOs

Info

ID:	54247
PubChem CID:	16956767
Reduced:	NS2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	401.135111
ΔH_f, kcal/mol:	-96.1
Dipole, Da:	6.21
IP(EA), eV:	-8.51(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations