Geometry & MOs

Info

ID:	311329
PubChem CID:	126590510
Reduced:	ClF3O3N5H27C28 (1)
Stoich.:	AB3C3D5E27F28 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-193.38
Dipole, Da:	4.09
IP(EA), eV:	-9.31(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-amino-4-oxo-1H-pyrimidin-6-yl)phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F

DOS

IR

Vibrations