Geometry & MOs

Info

ID:	395152
PubChem CID:	135024782
Reduced:	OC4H6 (5)
Stoich.:	AB4C6 (5)
Weight, g/mol:	465.92498
ΔH_f, kcal/mol:	-225.13
Dipole, Da:	4.89
IP(EA), eV:	-8.54(0.14)
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-(4-fluorophenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)[C@@]2(CC3(CC2(C)C)OCCO3)C(C)O)OC

DOS

IR

Vibrations