Geometry & MOs

Info

ID:	405807
PubChem CID:	135075469
Reduced:	OSC9H12 (1)
Stoich.:	ABC9D12 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-15.96
Dipole, Da:	4.82
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3,4-dihydroxy-6-(2-methyl-1,3-benzodioxol-2-yl)hexan-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[S@](=O)C

DOS

IR

Vibrations