Geometry & MOs

Info

ID:	159890
PubChem CID:	57288860
Reduced:	O2C13H27 (2)
Stoich.:	A2B13C27 (2)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-276.24
Dipole, Da:	3.78
IP(EA), eV:	-9.58(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-ethoxy-3-(methylsulfanylmethyl)-3,4-dihydro-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(C)OC(C)COCCO

DOS

IR

Vibrations