Geometry & MOs

Info

ID:	411066
PubChem CID:	135083876
Reduced:	ON2S2C8H12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	287.97973
ΔH_f, kcal/mol:	18.52
Dipole, Da:	5.71
IP(EA), eV:	-8.14(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-bromophenyl)-2-fluoro-3-oxopropanoate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)/N=C\C1=NC=CS1

DOS

IR

Vibrations