Geometry & MOs

Info

ID:	345192
PubChem CID:	127268952
Reduced:	SN4O4C13H20 (1)
Stoich.:	AB4C4D13E20 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-133.68
Dipole, Da:	4.45
IP(EA), eV:	-9.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-acetylpiperazin-1-yl)phenyl]methyl]-4-methylpiperidine-1-sulfonamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)NCC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations