Geometry & MOs

Info

ID:	259717
PubChem CID:	103172929
Reduced:	NSO6C12H17 (1)
Stoich.:	ABC6D12E17 (1)
Weight, g/mol:	263.061614
ΔH_f, kcal/mol:	-226.41
Dipole, Da:	4.39
IP(EA), eV:	-9.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-methoxypyridin-3-yl)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)CC1=NC=CC(=C1OC)OC)C(=O)O

DOS

IR

Vibrations