Geometry & MOs

Info

ID:	151990
PubChem CID:	56310826
Reduced:	ClSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	5.24
IP(EA), eV:	-7.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(C2)CNS(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations