Geometry & MOs

Info

ID:	339508
PubChem CID:	127261441
Reduced:	SO3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	242.115424
ΔH_f, kcal/mol:	-114.77
Dipole, Da:	7.93
IP(EA), eV:	-9.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dihydroxy-2,4,4-trimethylpentyl)furan-2,5-dione

Drug info:

PubChemData

Smile

C[C@H]1COC[C@@H]1S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations