Geometry & MOs

Info

ID:	140236
PubChem CID:	52668525
Reduced:	BrO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	456.078967
ΔH_f, kcal/mol:	-17.01
Dipole, Da:	4.64
IP(EA), eV:	-8.87(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(dimethylamino)phenyl]-1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NC3(CC3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations