Geometry & MOs

Info

ID:	192387
PubChem CID:	78263798
Reduced:	SN3O5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	284.197417
ΔH_f, kcal/mol:	-121.58
Dipole, Da:	2.87
IP(EA), eV:	-9.56(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-N'-(oxolan-2-ylmethyl)oxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2C=CC3=NC(=O)NC3=C2

DOS

IR

Vibrations