Geometry & MOs

Info

ID:	226241
PubChem CID:	87350212
Reduced:	N2O5C8H16 (1)
Stoich.:	A2B5C8D16 (1)
Weight, g/mol:	348.090569
ΔH_f, kcal/mol:	-223.05
Dipole, Da:	4.76
IP(EA), eV:	-9.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,6-diacetylpyridin-1-ium-1-yl)ethyl benzenesulfonate

Drug info:

PubChemData

Smile

CCC(C(=O)O)(O)OC(=O)CNCCN

DOS

IR

Vibrations