Geometry & MOs

Info

ID:	78296
PubChem CID:	49684332
Reduced:	ClSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	415.088804
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	5.01
IP(EA), eV:	-8.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations