Geometry & MOs

Info

ID:	345477
PubChem CID:	127269777
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-55.06
Dipole, Da:	1.28
IP(EA), eV:	-9.61(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC(=O)CC3

DOS

IR

Vibrations