Geometry & MOs

Info

ID:	147267
PubChem CID:	53786922
Reduced:	N2S2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	346.077656
ΔH_f, kcal/mol:	-30.39
Dipole, Da:	3.97
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethoxy)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NSC(=N1)OC2=CC=CC=C2C(=COC)C(=O)SC

DOS

IR

Vibrations