Geometry & MOs

Info

ID:	376583
PubChem CID:	134222603
Reduced:	FN4O4C15H17 (1)
Stoich.:	AB4C4D15E17 (1)
Weight, g/mol:	460.154683
ΔH_f, kcal/mol:	-158.75
Dipole, Da:	4.87
IP(EA), eV:	-9.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluoro-3-methylphenyl)methyl]-3-hydroxy-2,4-dioxo-6-(4-phenylanilino)-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C(=O)N(C(=O)N1)O)C(=O)NCC2=CC=CC(=C2F)C

DOS

IR

Vibrations