Geometry & MOs

Info

ID:	166073
PubChem CID:	74634731
Reduced:	SN3O4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	-89.79
Dipole, Da:	7.1
IP(EA), eV:	-9.36(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2-piperidin-1-yl-5H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(C(=O)N=C1)C(=O)NC2=NC(=CS2)CCC(=O)O

DOS

IR

Vibrations