Geometry & MOs

Info

ID:	53331
PubChem CID:	14710438
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	236.090472
ΔH_f, kcal/mol:	-64.7
Dipole, Da:	3.56
IP(EA), eV:	-9.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R,2R)-1-oxo-2-propan-2-yl-1,3-dithian-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(CC=O)OCC1=CC=CC=C1

DOS

IR

Vibrations