Geometry & MOs

Info

ID:	197166
PubChem CID:	78931074
Reduced:	BrFO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	286.087495
ΔH_f, kcal/mol:	-89.76
Dipole, Da:	3.84
IP(EA), eV:	-9.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(1,1-dioxothiolan-3-yl)oxy-3-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OCC2=CC(=C(C=C2)F)Br)O

DOS

IR

Vibrations