Geometry & MOs

Info

ID:	406088
PubChem CID:	135076467
Reduced:	SN2O6C13H14 (1)
Stoich.:	AB2C6D13E14 (1)
Weight, g/mol:	343.072573
ΔH_f, kcal/mol:	-138.95
Dipole, Da:	3.83
IP(EA), eV:	-10.32(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1-ethoxy-1,3-dioxobutan-2-yl)-2-methyl-5-nitrothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C(C#N)C(=O)OCC)[N+](=O)[O-])C

DOS

IR

Vibrations