Geometry & MOs

Info

ID:	191856
PubChem CID:	78194939
Reduced:	Cl2N3O5H9C18 (1)
Stoich.:	A2B3C5D9E18 (1)
Weight, g/mol:	448.063069
ΔH_f, kcal/mol:	-73.45
Dipole, Da:	9.14
IP(EA), eV:	-9.7(-2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=NC(=O)C(=O)C(=N3)C(=O)O

DOS

IR

Vibrations