Geometry & MOs

Info

ID:	191862
PubChem CID:	78194945
Reduced:	FN4O5C19H19 (1)
Stoich.:	AB4C5D19E19 (1)
Weight, g/mol:	406.12772
ΔH_f, kcal/mol:	-205.01
Dipole, Da:	5.65
IP(EA), eV:	-9.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dioxo-2-[3-(1-phenylpropylcarbamoylamino)phenyl]pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNC(=O)NC2=CC=CC(=C2)C3NC(C(C(=O)N3)O)C(=O)O

DOS

IR

Vibrations