Geometry & MOs

Info

ID:	25370
PubChem CID:	623890
Reduced:	O2S3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	2.72
IP(EA), eV:	-8.72(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethyl-2,3-dioxo-4H-quinoxalin-1-yl)ethyl acetate

Drug info:

PubChemData

Smile

CCCCCC1=C(SC(=S)S1)C(=O)OCC

DOS

IR

Vibrations