Geometry & MOs

Info

ID:	17515
PubChem CID:	502487
Reduced:	F3N4O6H15C20 (1)
Stoich.:	A3B4C6D15E20 (1)
Weight, g/mol:	464.094369
ΔH_f, kcal/mol:	-325.24
Dipole, Da:	2.4
IP(EA), eV:	-9.52(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations