Geometry & MOs

Info

ID:	13495
PubChem CID:	238011
Reduced:	SN2O3C7H8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	200.025563
ΔH_f, kcal/mol:	-90.96
Dipole, Da:	7.68
IP(EA), eV:	-10.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-2-sulfanyl-1H-pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=O)N=C(N1)S

DOS

IR

Vibrations