Geometry & MOs

Info

ID:	191899
PubChem CID:	78199624
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	296.046693
ΔH_f, kcal/mol:	-58.06
Dipole, Da:	6.78
IP(EA), eV:	-9.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)C2C(=N1)C3(CCCC3)N(C2=O)C

DOS

IR

Vibrations