Geometry & MOs

Info

ID:	383731
PubChem CID:	134975616
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	234.110338
ΔH_f, kcal/mol:	-157.39
Dipole, Da:	4.45
IP(EA), eV:	-10.05(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S,6S)-3-[(1S)-1-hydroxyethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one

Drug info:

PubChemData

Smile

C[C@@]1([C@@H]2CCCC[C@H]2CCC1=O)C(=O)OC

DOS

IR

Vibrations