Geometry & MOs

Info

ID:	130997
PubChem CID:	51141612
Reduced:	ClOS2N3C10H12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	386.02775
ΔH_f, kcal/mol:	10.52
Dipole, Da:	3.91
IP(EA), eV:	-9.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(2-bromo-4-fluorophenoxy)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=O)NN=C1SCC2=CC=C(S2)Cl

DOS

IR

Vibrations