Geometry & MOs

Info

ID:	381402
PubChem CID:	134972122
Reduced:	O3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	540.272318
ΔH_f, kcal/mol:	-254.18
Dipole, Da:	2.64
IP(EA), eV:	-10.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-6-methyl-2-[(3S)-6-methyloxan-3-yl]oxy-4-[(2S,3S)-3-phenylmethoxyoxan-2-yl]oxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C[C@H]1C(C([C@H](C(O1)C)OC(=O)C)O)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations