Geometry & MOs

Info

ID:	233301
PubChem CID:	89649895
Reduced:	ClS2F3N6O6C24H26 (1)
Stoich.:	AB2C3D6E6F24G26 (1)
Weight, g/mol:	232.064806
ΔH_f, kcal/mol:	-375.14
Dipole, Da:	5.6
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-methyl-6-pyrimidin-2-ylbenzoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(S2)S(=O)(=O)N[C@H]3CCN(C3=O)C(CC4=C(C=C5C(=C4)C=CN=C5N)OC(F)(F)F)C(=O)O.Cl

DOS

IR

Vibrations