Geometry & MOs

Info

ID:	156049
PubChem CID:	56368926
Reduced:	SCl2N2O4C22H26 (1)
Stoich.:	AB2C2D4E22F26 (1)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-145.18
Dipole, Da:	3.19
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C(C)OC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations