Geometry & MOs

Info

ID:	63650
PubChem CID:	26758877
Reduced:	SN2O5H14C17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	4.67
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=NC(=NO2)C3=CSC=C3)O

DOS

IR

Vibrations