Geometry & MOs

Info

ID:	141627
PubChem CID:	52903860
Reduced:	ClN2O3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	235.017738
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	4.13
IP(EA), eV:	-9.9(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=O)N(C=N2)CC(=O)O)Cl

DOS

IR

Vibrations