Geometry & MOs

Info

ID:	158483
PubChem CID:	56463953
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	465.198774
ΔH_f, kcal/mol:	-128.76
Dipole, Da:	5.63
IP(EA), eV:	-8.56(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-oxo-3-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations