Geometry & MOs

Info

ID:	328452
PubChem CID:	126723102
Reduced:	O5C9H12 (1)
Stoich.:	A5B9C12 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-220.21
Dipole, Da:	3.07
IP(EA), eV:	-10.76(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one

Drug info:

PubChemData

Smile

C1[C@H]2[C@@]3(C[C@H]([C@H]([C@@H](C3)O2)O)O)OC1=O

DOS

IR

Vibrations