Geometry & MOs

Info

ID:	216177
PubChem CID:	85085835
Reduced:	Cl2N3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	65.09
Dipole, Da:	8.54
IP(EA), eV:	-7.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-6-methyl-4-methylsulfanyl-2-oxo-3H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CN2C3=CC(C(=CC3=NC=C2N1)Cl)Cl

DOS

IR

Vibrations