Geometry & MOs

Info

ID:	374393
PubChem CID:	131328152
Reduced:	OSN3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	273.96408
ΔH_f, kcal/mol:	0.47
Dipole, Da:	2.89
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-3-fluoro-6-methylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(S2)C(CN)O

DOS

IR

Vibrations