Geometry & MOs

Info

ID:	338455
PubChem CID:	127259147
Reduced:	SO2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	246.052823
ΔH_f, kcal/mol:	20.68
Dipole, Da:	1.36
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dioxonaphthalen-1-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

CC(=O)O/C=N/NC1=NC(=CS1)C2=CC=CC=C2

DOS

IR

Vibrations