Geometry & MOs

Info

ID:	57955
PubChem CID:	24398019
Reduced:	Cl2N2O2H18C19 (1)
Stoich.:	A2B2C2D18E19 (1)
Weight, g/mol:	434.106706
ΔH_f, kcal/mol:	-69.95
Dipole, Da:	3.54
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetylphenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations