Geometry & MOs

Info

ID:	85389
PubChem CID:	49874693
Reduced:	SO3H12C16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	3.83
IP(EA), eV:	-9.52(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-6-methoxy-4-methylpyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations