Geometry & MOs

Info

ID:	371325
PubChem CID:	127345692
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	382.167477
ΔH_f, kcal/mol:	-161.25
Dipole, Da:	3.68
IP(EA), eV:	-8.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

Drug info:

PubChemData

Smile

C1COCC1CC(=O)NC2=CC=C(C=C2)CC(=O)N3CCOCC3

DOS

IR

Vibrations