Geometry & MOs

Info

ID:	221253
PubChem CID:	85261711
Reduced:	O11C28H44 (1)
Stoich.:	A11B28C44 (1)
Weight, g/mol:	556.303618
ΔH_f, kcal/mol:	-527.09
Dipole, Da:	5.27
IP(EA), eV:	-10.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(2,2-dimethylpropanoyloxy)-3-phenylmethoxypropan-2-yl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1CC(C2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)OC4C(C(C(C(O4)CO)O)O)O)(C)C)OC(=O)C

DOS

IR

Vibrations