Geometry & MOs

Info

ID:	214343
PubChem CID:	84975221
Reduced:	SCl2N2O3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	320.197417
ΔH_f, kcal/mol:	-75.79
Dipole, Da:	6.71
IP(EA), eV:	-9.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations