Geometry & MOs

Info

ID:	244711
PubChem CID:	99381080
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	398.081554
ΔH_f, kcal/mol:	37.54
Dipole, Da:	2.51
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC=CN2CC3=CC=NC=C3)CC4=CC=CS4

DOS

IR

Vibrations