Geometry & MOs

Info

ID:	13507
PubChem CID:	239049
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	214.041213
ΔH_f, kcal/mol:	-105.93
Dipole, Da:	4.3
IP(EA), eV:	-9.71(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(NC1=O)SC

DOS

IR

Vibrations