Geometry & MOs

Info

ID:	373587
PubChem CID:	131317548
Reduced:	SO4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	284.9749
ΔH_f, kcal/mol:	-111.88
Dipole, Da:	2.86
IP(EA), eV:	-8.77(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-2-methyl-5-oxo-1H-imidazo[1,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC2=C1SC=C2O)C=O

DOS

IR

Vibrations