Geometry & MOs

Info

ID:	402734
PubChem CID:	135057046
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	285.93962
ΔH_f, kcal/mol:	-85.98
Dipole, Da:	1.17
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(3-chloro-4-methylphenyl)-2H-furan-5-one

Drug info:

PubChemData

Smile

CCC[C@H]([C@H](C(=O)C)SC1=CC=CC=C1)O

DOS

IR

Vibrations