Geometry & MOs

Info

ID:	373983
PubChem CID:	131322027
Reduced:	SO3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	261.95892
ΔH_f, kcal/mol:	-100.17
Dipole, Da:	4.97
IP(EA), eV:	-8.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-bromo-2,6-dioxo-5H-pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=CC(=C2S1)O)C(=O)O

DOS

IR

Vibrations