Geometry & MOs

Info

ID:	211761
PubChem CID:	81053628
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	277.057278
ΔH_f, kcal/mol:	-81.56
Dipole, Da:	1.23
IP(EA), eV:	-9.81(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)OC2=C(C(=NC(=C2)C)C)C(=O)O

DOS

IR

Vibrations