Geometry & MOs

Info

ID:	78293
PubChem CID:	49684326
Reduced:	SN3O3C21H31 (1)
Stoich.:	AB3C3D21E31 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	-90.04
Dipole, Da:	3.17
IP(EA), eV:	-8.5(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-N-[[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=CC=C1CN2CCC(CC2)CNS(=O)(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations