Geometry & MOs

Info

ID:	228398
PubChem CID:	87564200
Reduced:	O5C6H14 (1)
Stoich.:	A5B6C14 (1)
Weight, g/mol:	331.008534
ΔH_f, kcal/mol:	-234.53
Dipole, Da:	1.94
IP(EA), eV:	-9.95(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitro-5-quinoxalin-2-ylsulfanylthiophen-2-yl)acetaldehyde

Drug info:

PubChemData

Smile

CCOCC(CO)O.C(=O)O

DOS

IR

Vibrations