Geometry & MOs

Info

ID:	267733
PubChem CID:	103586821
Reduced:	SF2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	292.065949
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	5.95
IP(EA), eV:	-8.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-difluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CNC(=S)N1C2=C(C=C(C(=C2)F)C)F

DOS

IR

Vibrations