Geometry & MOs

Info

ID:	140022
PubChem CID:	52632852
Reduced:	SN3O4C21H33 (1)
Stoich.:	AB3C4D21E33 (1)
Weight, g/mol:	378.193
ΔH_f, kcal/mol:	-189.86
Dipole, Da:	3.07
IP(EA), eV:	-9.41(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-N'-quinolin-8-yloxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H](C2)CNS(=O)(=O)C

DOS

IR

Vibrations