Geometry & MOs

Info

ID:	345106
PubChem CID:	127268866
Reduced:	NSO3C7H10 (2)
Stoich.:	ABC3D7E10 (2)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-214.87
Dipole, Da:	2.65
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-yl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations