Geometry & MOs

Info

ID:	327053
PubChem CID:	126688928
Reduced:	O5C10H12 (2)
Stoich.:	A5B10C12 (2)
Weight, g/mol:	438.152597
ΔH_f, kcal/mol:	-422.47
Dipole, Da:	7.57
IP(EA), eV:	-10.34(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)OCC1=CC=CC=C1)OC(=O)CCC(=O)O

DOS

IR

Vibrations