Geometry & MOs

Info

ID:	17514
PubChem CID:	502465
Reduced:	F3N4O5H13C19 (1)
Stoich.:	A3B4C5D13E19 (1)
Weight, g/mol:	434.083804
ΔH_f, kcal/mol:	-278.71
Dipole, Da:	3.19
IP(EA), eV:	-9.53(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-4-oxo-2-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=CC=CC(=C2)C3=NC(=O)C(=C(N3)C(=O)O)O

DOS

IR

Vibrations