Geometry & MOs

Info

ID:	78290
PubChem CID:	49684311
Reduced:	ClSO2N3C19H26 (1)
Stoich.:	ABC2D3E19F26 (1)
Weight, g/mol:	403.229348
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	4.09
IP(EA), eV:	-8.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5,6-tetramethyl-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=CC=C1CN2CCC(CC2)CNS(=O)(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations