Geometry & MOs

Info

ID:	402698
PubChem CID:	135056938
Reduced:	SO2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-26.27
Dipole, Da:	3.78
IP(EA), eV:	-9.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(6-methyl-4-oxo-1H-pyrimidin-2-yl)butanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](S1(=O)=O)C2=CC=CC=C2

DOS

IR

Vibrations