Geometry & MOs

Info

ID:	67665
PubChem CID:	46506923
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	460.077218
ΔH_f, kcal/mol:	25.04
Dipole, Da:	8.58
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=NO2)C3=CC=CC=C3

DOS

IR

Vibrations