Geometry & MOs

Info

ID:	214875
PubChem CID:	85083782
Reduced:	SO5C38H62 (1)
Stoich.:	AB5C38D62 (1)
Weight, g/mol:	631.168975
ΔH_f, kcal/mol:	-306.79
Dipole, Da:	5.85
IP(EA), eV:	-9.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-3-benzoyloxy-6-[(1,3-dioxoisoindol-2-yl)methoxy]oxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2(CC3CCC4C5CCC(C5(CCC4C3(CC2(C)O)C)C)C(C)CCCC(C)C)C

DOS

IR

Vibrations