Geometry & MOs

Info

ID:	77191
PubChem CID:	48425906
Reduced:	ClN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	401.144299
ΔH_f, kcal/mol:	-129.84
Dipole, Da:	5.29
IP(EA), eV:	-9.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations