Geometry & MOs

Info

ID:	191858
PubChem CID:	78194941
Reduced:	FN4O5H11C18 (1)
Stoich.:	AB4C5D11E18 (1)
Weight, g/mol:	432.068154
ΔH_f, kcal/mol:	-108.27
Dipole, Da:	10.76
IP(EA), eV:	-9.33(-2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dioxo-2-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations