Geometry & MOs

Info

ID:	401161
PubChem CID:	135050396
Reduced:	O2C8H15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	314.209324
ΔH_f, kcal/mol:	-227.6
Dipole, Da:	2.97
IP(EA), eV:	-9.83(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S,6S)-6-acetyl-2,2,5-trimethyl-1,3-dioxan-4-yl]propyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC[C@H]1[C@](O[C@H](O1)C)(C)[C@@H]2[C@H]([C@H](O[C@H](O2)C)C(C)C)C

DOS

IR

Vibrations