Geometry & MOs

Info

ID:	425908
PubChem CID:	135130436
Reduced:	O4C5H9 (2)
Stoich.:	A4B5C9 (2)
Weight, g/mol:	330.204239
ΔH_f, kcal/mol:	-367.94
Dipole, Da:	3.76
IP(EA), eV:	-10.68(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4S)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxybutanoate

Drug info:

PubChemData

Smile

CC[C@H](C(=O)O)OC1C([C@H](C(C(O1)CO)O)O)O

DOS

IR

Vibrations