Geometry & MOs

Info

ID:	232574
PubChem CID:	87576449
Reduced:	ClO3N4F8H9C15 (1)
Stoich.:	AB3C4D8E9F15 (1)
Weight, g/mol:	231.031377
ΔH_f, kcal/mol:	-465.67
Dipole, Da:	5.2
IP(EA), eV:	-9.78(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dioxo-1-sulfanylpyrimidin-5-yl)methylamino]acetic acid

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C(C(F)(F)F)(F)F)C(F)(F)F)C(=O)NC2=NC=C(C(=C2)C(=O)OC)Cl

DOS

IR

Vibrations