Geometry & MOs

Info

ID:	17513
PubChem CID:	502464
Reduced:	Cl2N4O5H12C18 (1)
Stoich.:	A2B4C5D12E18 (1)
Weight, g/mol:	434.018475
ΔH_f, kcal/mol:	-137.54
Dipole, Da:	8.56
IP(EA), eV:	-9.49(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations