Geometry & MOs

Info

ID:	27255
PubChem CID:	819922
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	324.033541
ΔH_f, kcal/mol:	-151.47
Dipole, Da:	4.2
IP(EA), eV:	-9.86(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chlorophenyl)-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCCC(=O)O

DOS

IR

Vibrations