Geometry & MOs

Info

ID:	395911
PubChem CID:	135026869
Reduced:	ClSO2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	314.06128
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	1.05
IP(EA), eV:	-8.8(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(S)-benzenesulfonyl(phenyl)methyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(S1)C=CC(=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations