Geometry & MOs

Info

ID:	376580
PubChem CID:	134222600
Reduced:	N2O2C7H8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	460.154683
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	3.34
IP(EA), eV:	-9.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=C(NC(=O)N(C2=O)O)NC

DOS

IR

Vibrations