Geometry & MOs

Info

ID:	294910
PubChem CID:	117504731
Reduced:	BrNS2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	319.96956
ΔH_f, kcal/mol:	6.76
Dipole, Da:	3.06
IP(EA), eV:	-8.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-bromo-2-fluoro-3-hydroxy-4-methoxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C(=C1)Br)SC)SC)N

DOS

IR

Vibrations