Geometry & MOs

Info

ID:	395153
PubChem CID:	135024787
Reduced:	FBr2O5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	461.95005
ΔH_f, kcal/mol:	-221.37
Dipole, Da:	6.72
IP(EA), eV:	-9.79(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(2S)-3,4-dibromo-5-oxo-2H-furan-2-yl]-2-hydroxy-2-(4-methylphenyl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]([C@H]1C(=C(C(=O)O1)Br)Br)(C2=CC=C(C=C2)F)O

DOS

IR

Vibrations