Geometry & MOs

Info

ID:	17511
PubChem CID:	502432
Reduced:	FN4O5H13C18 (1)
Stoich.:	AB4C5D13E18 (1)
Weight, g/mol:	384.086998
ΔH_f, kcal/mol:	-164.12
Dipole, Da:	7.11
IP(EA), eV:	-9.22(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations