Geometry & MOs

Info

ID:	210022
PubChem CID:	80751659
Reduced:	F2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	271.080435
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	6.65
IP(EA), eV:	-8.85(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)NC2=CC(=CC(=C2)F)F)CC

DOS

IR

Vibrations