Geometry & MOs

Info

ID:	344896
PubChem CID:	127268656
Reduced:	NS2O4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	333.172228
ΔH_f, kcal/mol:	-179.76
Dipole, Da:	7.83
IP(EA), eV:	-9.42(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1-(oxan-2-yl)methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCCCC2)CNS(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations