Geometry & MOs

Info

ID:	173785
PubChem CID:	75682864
Reduced:	NO5H7C11 (1)
Stoich.:	AB5C7D11 (1)
Weight, g/mol:	223.111639
ΔH_f, kcal/mol:	-153.4
Dipole, Da:	3.48
IP(EA), eV:	-10.74(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(dimethylamino)ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)O)C(=O)C(C=N2)C(=O)O

DOS

IR

Vibrations