Geometry & MOs

Info

ID:	194308
PubChem CID:	78513637
Reduced:	Cl2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	417.135842
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	7.7
IP(EA), eV:	-9.3(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-pyridin-3-ylpiperidin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3CCCCC3

DOS

IR

Vibrations