Geometry & MOs

Info

ID:	298670
PubChem CID:	117653791
Reduced:	SO2F3N6C13H15 (1)
Stoich.:	AB2C3D6E13F15 (1)
Weight, g/mol:	305.106336
ΔH_f, kcal/mol:	-167.39
Dipole, Da:	4.27
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CN(C(CN1)CCOC(=O)C(F)(F)F)C2=C3C(=NC(=N2)N)SC=N3

DOS

IR

Vibrations